N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

C23H30N6O — CID 24790481

IUPACN-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1
InChIInChI=1S/C23H30N6O/c1-2-28-18-20(16-25-28)17-27-14-11-21(12-15-27)29-22(10-13-24-29)26-23(30)9-8-19-6-4-3-5-7-19/h3-7,10,13,16,18,21H,2,8-9,11-12,14-15,17H2,1H3,(H,26,30)
InChIKeyZRAPEZSHOULXAN-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.51
Rot. Bonds8

About N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24790481) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24790481
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1
InChIInChI=1S/C23H30N6O/c1-2-28-18-20(16-25-28)17-27-14-11-21(12-15-27)29-22(10-13-24-29)26-23(30)9-8-19-6-4-3-5-7-19/h3-7,10,13,16,18,21H,2,8-9,11-12,14-15,17H2,1H3,(H,26,30)
InChIKeyZRAPEZSHOULXAN-UHFFFAOYSA-N
XLogP3.51
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24790481) is N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is CCn1cc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1.
What is the InChIKey of N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is ZRAPEZSHOULXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-2-28-18-20(16-25-28)17-27-14-11-21(12-15-27)29-22(10-13-24-29)26-23(30)9-8-19-6-4-3-5-7-19/h3-7,10,13,16,18,21H,2,8-9,11-12,14-15,17H2,1H3,(H,26,30).
What are the key properties of N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 406.53 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24790481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).