N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide

C20H23N5O3 — CID 146113799

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccccc1-n1nccc1C(=O)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C20H23N5O3/c1-28-19-6-3-2-5-16(19)25-17(7-9-22-25)20(27)23-15-11-14(12-18(15)26)13-24-10-4-8-21-24/h2-10,14-15,18,26H,11-13H2,1H3,(H,23,27)/t14?,15-,18-/m1/s1
InChIKeyBLCFRGFZAXXMRV-QTLYGJNZSA-N
MW381.44 g/mol
LogP1.65
Rot. Bonds6

About N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 146113799) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID146113799
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccccc1-n1nccc1C(=O)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C20H23N5O3/c1-28-19-6-3-2-5-16(19)25-17(7-9-22-25)20(27)23-15-11-14(12-18(15)26)13-24-10-4-8-21-24/h2-10,14-15,18,26H,11-13H2,1H3,(H,23,27)/t14?,15-,18-/m1/s1
InChIKeyBLCFRGFZAXXMRV-QTLYGJNZSA-N
XLogP1.65
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-methoxyisoquinoline-3-carboxamide
CID 166310731
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
CID 166286067
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123
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]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 146113906
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]-1H-indole-7-carboxamide
CID 146110002
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methylindol-1-yl)acetamide
CID 166286144
6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide
CID 166286085
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146113852

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide (CID 146113799) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide is COc1ccccc1-n1nccc1C(=O)N[C@@H]1CC(Cn2cccn2)C[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is BLCFRGFZAXXMRV-QTLYGJNZSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-28-19-6-3-2-5-16(19)25-17(7-9-22-25)20(27)23-15-11-14(12-18(15)26)13-24-10-4-8-21-24/h2-10,14-15,18,26H,11-13H2,1H3,(H,23,27)/t14?,15-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 146113799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).