2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide

C22H25N5O2 — CID 146110461

IUPAC2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C22H25N5O2/c28-21-12-15(13-26-10-8-23-14-26)11-19(21)24-22(29)17-3-1-2-4-20(17)27-9-7-18(25-27)16-5-6-16/h1-4,7-10,14-16,19,21,28H,5-6,11-13H2,(H,24,29)/t15?,19-,21-/m1/s1
InChIKeyYMBIVCFVYCGXEK-AIEAQGLASA-N
MW391.48 g/mol
LogP2.52
Rot. Bonds6

About 2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide

2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide (PubChem CID 146110461) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide
PubChem CID146110461
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C22H25N5O2/c28-21-12-15(13-26-10-8-23-14-26)11-19(21)24-22(29)17-3-1-2-4-20(17)27-9-7-18(25-27)16-5-6-16/h1-4,7-10,14-16,19,21,28H,5-6,11-13H2,(H,24,29)/t15?,19-,21-/m1/s1
InChIKeyYMBIVCFVYCGXEK-AIEAQGLASA-N
XLogP2.52
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 154802873
3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide
CID 146110319
5-cyclobutyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide
CID 146110443
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146110440
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide
CID 146110527
3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 146110385
2-cyclopentyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyrazole-3-carboxamide
CID 166286230
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 146110347
5-fluoro-2-(furan-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide
CID 146110307
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide
CID 146110207
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide
CID 146110346
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide
CID 146110219

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide?
The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide (CID 146110461) is 2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide.
What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide?
The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccccc1-n1ccc(C2CC2)n1.
What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide?
The InChIKey is YMBIVCFVYCGXEK-AIEAQGLASA-N. The full InChI is InChI=1S/C22H25N5O2/c28-21-12-15(13-26-10-8-23-14-26)11-19(21)24-22(29)17-3-1-2-4-20(17)27-9-7-18(25-27)16-5-6-16/h1-4,7-10,14-16,19,21,28H,5-6,11-13H2,(H,24,29)/t15?,19-,21-/m1/s1.
What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide?
2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide has a molecular weight of 391.48 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]benzamide is sourced from PubChem (CID 146110461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).