N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide

C18H24N4O2 — CID 146110013

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C18H24N4O2/c23-17-12-14(13-22-10-4-9-20-22)11-16(17)21-18(24)7-3-6-15-5-1-2-8-19-15/h1-2,4-5,8-10,14,16-17,23H,3,6-7,11-13H2,(H,21,24)/t14?,16-,17-/m1/s1
InChIKeyYDFDCFZCUQKFHH-VNCLPFQGSA-N
MW328.42 g/mol
LogP1.56
Rot. Bonds7

About N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide (PubChem CID 146110013) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide
PubChem CID146110013
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C18H24N4O2/c23-17-12-14(13-22-10-4-9-20-22)11-16(17)21-18(24)7-3-6-15-5-1-2-8-19-15/h1-2,4-5,8-10,14,16-17,23H,3,6-7,11-13H2,(H,21,24)/t14?,16-,17-/m1/s1
InChIKeyYDFDCFZCUQKFHH-VNCLPFQGSA-N
XLogP1.56
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 146110037
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(6-methoxy-3-pyridinyl)propanamide
CID 154795160
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
CID 166286067
2-(2-cyclopentyloxyphenyl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 146113876
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]quinoxaline-5-carboxamide
CID 146113903
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(5-methylindol-1-yl)propanamide
CID 166286061
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methylindol-1-yl)acetamide
CID 166286144
4-pyridin-2-yl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butanamide
CID 95762622
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 167791193
trans-(1R,2R)-2-[(3-fluoro-2-pyridinyl)amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 146113015
2-(4-aminoindol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]acetamide
CID 167877600
trans-(1R,2R)-2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]-4-(pyrazol-1-ylmethyl)cyclopentan-1-ol
CID 166285878

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide (CID 146110013) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide is O=C(CCCc1ccccn1)N[C@@H]1CC(Cn2cccn2)C[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide?
The InChIKey is YDFDCFZCUQKFHH-VNCLPFQGSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17-12-14(13-22-10-4-9-20-22)11-16(17)21-18(24)7-3-6-15-5-1-2-8-19-15/h1-2,4-5,8-10,14,16-17,23H,3,6-7,11-13H2,(H,21,24)/t14?,16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide has a molecular weight of 328.42 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 146110013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).