N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C23H32N4O — CID 24790093

IUPACN-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCCc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C23H32N4O/c1-2-18-7-9-19(10-8-18)17-26-15-12-21(13-16-26)27-22(11-14-24-27)25-23(28)20-5-3-4-6-20/h7-11,14,20-21H,2-6,12-13,15-17H2,1H3,(H,25,28)
InChIKeyHVHPKCZQCZMWQS-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.41
Rot. Bonds6

About N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24790093) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24790093
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCCc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C23H32N4O/c1-2-18-7-9-19(10-8-18)17-26-15-12-21(13-16-26)27-22(11-14-24-27)25-23(28)20-5-3-4-6-20/h7-11,14,20-21H,2-6,12-13,15-17H2,1H3,(H,25,28)
InChIKeyHVHPKCZQCZMWQS-UHFFFAOYSA-N
XLogP4.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24790093) is N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is CCc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is HVHPKCZQCZMWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-2-18-7-9-19(10-8-18)17-26-15-12-21(13-16-26)27-22(11-14-24-27)25-23(28)20-5-3-4-6-20/h7-11,14,20-21H,2-6,12-13,15-17H2,1H3,(H,25,28).
What are the key properties of N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 380.54 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24790093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).