tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate

C19H25FN4O2 — CID 141260757

IUPACtert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)CC1c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C19H25FN4O2/c1-19(2,3)26-18(25)24-10-9-23(4)17(12-24)16-11-15(21-22-16)13-5-7-14(20)8-6-13/h5-8,11,17H,9-10,12H2,1-4H3,(H,21,22)
InChIKeyBCFQRHFJBXVZCO-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.44
Rot. Bonds2

About tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate

tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate (PubChem CID 141260757) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate
PubChem CID141260757
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Nametert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)CC1c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C19H25FN4O2/c1-19(2,3)26-18(25)24-10-9-23(4)17(12-24)16-11-15(21-22-16)13-5-7-14(20)8-6-13/h5-8,11,17H,9-10,12H2,1-4H3,(H,21,22)
InChIKeyBCFQRHFJBXVZCO-UHFFFAOYSA-N
XLogP3.44
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate (CID 141260757) is tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OC(C)(C)C)CC1c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate?
The InChIKey is BCFQRHFJBXVZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-19(2,3)26-18(25)24-10-9-23(4)17(12-24)16-11-15(21-22-16)13-5-7-14(20)8-6-13/h5-8,11,17H,9-10,12H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate?
tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate has a molecular weight of 360.43 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 141260757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).