N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C23H31ClN4O — CID 24791483

IUPACN-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC(Cc1ccc(Cl)cc1)N1CCC(n2nccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C23H31ClN4O/c1-17(16-18-6-8-20(24)9-7-18)27-14-11-21(12-15-27)28-22(10-13-25-28)26-23(29)19-4-2-3-5-19/h6-10,13,17,19,21H,2-5,11-12,14-16H2,1H3,(H,26,29)
InChIKeyBQRHOISSWJKRSW-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.93
Rot. Bonds6

About N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24791483) has the molecular formula C23H31ClN4O and a molecular weight of 414.98 g/mol. Its IUPAC name is N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24791483
Molecular FormulaC23H31ClN4O
Molecular Weight414.98 g/mol
Exact Mass414.22
IUPAC NameN-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC(Cc1ccc(Cl)cc1)N1CCC(n2nccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C23H31ClN4O/c1-17(16-18-6-8-20(24)9-7-18)27-14-11-21(12-15-27)28-22(10-13-25-28)26-23(29)19-4-2-3-5-19/h6-10,13,17,19,21H,2-5,11-12,14-16H2,1H3,(H,26,29)
InChIKeyBQRHOISSWJKRSW-UHFFFAOYSA-N
XLogP4.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24791483) is N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is CC(Cc1ccc(Cl)cc1)N1CCC(n2nccc2NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is BQRHOISSWJKRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4O/c1-17(16-18-6-8-20(24)9-7-18)27-14-11-21(12-15-27)28-22(10-13-25-28)26-23(29)19-4-2-3-5-19/h6-10,13,17,19,21H,2-5,11-12,14-16H2,1H3,(H,26,29).
What are the key properties of N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 414.98 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24791483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).