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

C21H32N6O — CID 24794235

IUPACN-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC(C)n1cc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cn1
InChIInChI=1S/C21H32N6O/c1-16(2)26-15-17(13-23-26)14-25-11-8-19(9-12-25)27-20(7-10-22-27)24-21(28)18-5-3-4-6-18/h7,10,13,15-16,18-19H,3-6,8-9,11-12,14H2,1-2H3,(H,24,28)
InChIKeyLVSICOBEBLIWCW-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.63
Rot. Bonds6

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

N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24794235) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24794235
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC NameN-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC(C)n1cc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cn1
InChIInChI=1S/C21H32N6O/c1-16(2)26-15-17(13-23-26)14-25-11-8-19(9-12-25)27-20(7-10-22-27)24-21(28)18-5-3-4-6-18/h7,10,13,15-16,18-19H,3-6,8-9,11-12,14H2,1-2H3,(H,24,28)
InChIKeyLVSICOBEBLIWCW-UHFFFAOYSA-N
XLogP3.63
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{1-[1-(2,6-dimethyl-5-hepten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24818932
N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24819134
N-(1-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24794189
N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24816873
N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24819485
N-(1-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24790288
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 53627192
N-(1-{1-[2-(1H-pyrazol-1-yl)acetyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 25381393
N-(1-{1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 26405004
N-(1-ethyl-1H-pyrazol-3-yl)cyclopentanecarboxamide
CID 35525134
ethyl 4-{5-[(cyclopentylcarbonyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate
CID 42213840
N-(1-butyl-4-methyl-1H-pyrazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 46988576

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24794235) is N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is CC(C)n1cc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cn1.
What is the InChIKey of N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is LVSICOBEBLIWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-16(2)26-15-17(13-23-26)14-25-11-8-19(9-12-25)27-20(7-10-22-27)24-21(28)18-5-3-4-6-18/h7,10,13,15-16,18-19H,3-6,8-9,11-12,14H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 384.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24794235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).