tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine

C133H185N27O2 — CID 157329515

IUPACtert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(-n3cc(C(C)(C)C)cn3)cc2)CC1.CC(C)(C)c1cnn(-c2ccc(N3CCCCC3)cc2)c1.CC(C)(C)c1cnn(-c2ccc(N3CCCCC3)cc2)c1.CC(C)(C)c1cnn(-c2ccc(N3CCCCC3)cn2)c1.CC(C)(C)c1cnn(-c2ccc(N3CCCCC3)cn2)c1.CC(C)(C)c1cnn(-c2ccc(N3CCNCC3)cc2)c1.CC(c1ccccc1)N1CCN(c2ccc(-n3cc(C(C)(C)C)cn3)nc2)CC1
InChIInChI=1S/C24H31N5.C22H32N4O2.2C18H25N3.3C17H24N4/c1-19(20-8-6-5-7-9-20)27-12-14-28(15-13-27)22-10-11-23(25-17-22)29-18-21(16-26-29)24(2,3)4;1-21(2,3)17-15-23-26(16-17)19-9-7-18(8-10-19)24-11-13-25(14-12-24)20(27)28-22(4,5)6;2*1-18(2,3)15-13-19-21(14-15)17-9-7-16(8-10-17)20-11-5-4-6-12-20;1-17(2,3)14-12-19-21(13-14)16-6-4-15(5-7-16)20-10-8-18-9-11-20;2*1-17(2,3)14-11-19-21(13-14)16-8-7-15(12-18-16)20-9-5-4-6-10-20/h5-11,16-19H,12-15H2,1-4H3;7-10,15-16H,11-14H2,1-6H3;2*7-10,13-14H,4-6,11-12H2,1-3H3;4-7,12-13,18H,8-11H2,1-3H3;2*7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyBFCULOMFBGYRFM-UHFFFAOYSA-N
MW2194.13 g/mol
LogP26.68
Rot. Bonds16

About tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine

tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine (PubChem CID 157329515) has the molecular formula C133H185N27O2 and a molecular weight of 2194.13 g/mol. Its IUPAC name is tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine.

Molecular Properties

Compound Nametert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine
PubChem CID157329515
Molecular FormulaC133H185N27O2
Molecular Weight2194.13 g/mol
Exact Mass2192.52
IUPAC Nametert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(-n3cc(C(C)(C)C)cn3)cc2)CC1.CC(C)(C)c1cnn(-c2ccc(N3CCCCC3)cc2)c1.CC(C)(C)c1cnn(-c2ccc(N3CCCCC3)cc2)c1.CC(C)(C)c1cnn(-c2ccc(N3CCCCC3)cn2)c1.CC(C)(C)c1cnn(-c2ccc(N3CCCCC3)cn2)c1.CC(C)(C)c1cnn(-c2ccc(N3CCNCC3)cc2)c1.CC(c1ccccc1)N1CCN(c2ccc(-n3cc(C(C)(C)C)cn3)nc2)CC1
InChIInChI=1S/C24H31N5.C22H32N4O2.2C18H25N3.3C17H24N4/c1-19(20-8-6-5-7-9-20)27-12-14-28(15-13-27)22-10-11-23(25-17-22)29-18-21(16-26-29)24(2,3)4;1-21(2,3)17-15-23-26(16-17)19-9-7-18(8-10-19)24-11-13-25(14-12-24)20(27)28-22(4,5)6;2*1-18(2,3)15-13-19-21(14-15)17-9-7-16(8-10-17)20-11-5-4-6-12-20;1-17(2,3)14-12-19-21(13-14)16-6-4-15(5-7-16)20-10-8-18-9-11-20;2*1-17(2,3)14-11-19-21(13-14)16-8-7-15(12-18-16)20-9-5-4-6-10-20/h5-11,16-19H,12-15H2,1-4H3;7-10,15-16H,11-14H2,1-6H3;2*7-10,13-14H,4-6,11-12H2,1-3H3;4-7,12-13,18H,8-11H2,1-3H3;2*7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyBFCULOMFBGYRFM-UHFFFAOYSA-N
XLogP26.68
TPSA230.90 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002194.13
LogP ≤ 526.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine?
The IUPAC name of tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine (CID 157329515) is tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine.
What is the SMILES notation for tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine?
The canonical SMILES for tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine is CC(C)(C)OC(=O)N1CCN(c2ccc(-n3cc(C(C)(C)C)cn3)cc2)CC1.CC(C)(C)c1cnn(-c2ccc(N3CCCCC3)cc2)c1.CC(C)(C)c1cnn(-c2ccc(N3CCCCC3)cc2)c1.CC(C)(C)c1cnn(-c2ccc(N3CCCCC3)cn2)c1.CC(C)(C)c1cnn(-c2ccc(N3CCCCC3)cn2)c1.CC(C)(C)c1cnn(-c2ccc(N3CCNCC3)cc2)c1.CC(c1ccccc1)N1CCN(c2ccc(-n3cc(C(C)(C)C)cn3)nc2)CC1.
What is the InChIKey of tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine?
The InChIKey is BFCULOMFBGYRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5.C22H32N4O2.2C18H25N3.3C17H24N4/c1-19(20-8-6-5-7-9-20)27-12-14-28(15-13-27)22-10-11-23(25-17-22)29-18-21(16-26-29)24(2,3)4;1-21(2,3)17-15-23-26(16-17)19-9-7-18(8-10-19)24-11-13-25(14-12-24)20(27)28-22(4,5)6;2*1-18(2,3)15-13-19-21(14-15)17-9-7-16(8-10-17)20-11-5-4-6-12-20;1-17(2,3)14-12-19-21(13-14)16-6-4-15(5-7-16)20-10-8-18-9-11-20;2*1-17(2,3)14-11-19-21(13-14)16-8-7-15(12-18-16)20-9-5-4-6-10-20/h5-11,16-19H,12-15H2,1-4H3;7-10,15-16H,11-14H2,1-6H3;2*7-10,13-14H,4-6,11-12H2,1-3H3;4-7,12-13,18H,8-11H2,1-3H3;2*7-8,11-13H,4-6,9-10H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine?
tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine has a molecular weight of 2194.13 g/mol, XLogP of 26.68, 16 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine-1-carboxylate;1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperazine;bis(1-[4-(4-tert-butylpyrazol-1-yl)phenyl]piperidine);bis(2-(4-tert-butylpyrazol-1-yl)-5-piperidin-1-ylpyridine);1-[6-(4-tert-butylpyrazol-1-yl)-3-pyridinyl]-4-(1-phenylethyl)piperazine is sourced from PubChem (CID 157329515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).