N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide

C20H22ClN5O2 — CID 146110134

IUPACN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O
InChIInChI=1S/C20H22ClN5O2/c21-16-11-23-25(13-16)12-15-8-18(19(27)9-15)24-20(28)10-14-2-4-17(5-3-14)26-7-1-6-22-26/h1-7,11,13,15,18-19,27H,8-10,12H2,(H,24,28)/t15?,18-,19-/m1/s1
InChIKeyJWCRGYOOUNZWSA-JCNKGUCWSA-N
MW399.88 g/mol
LogP2.22
Rot. Bonds6

About N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide

N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 146110134) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID146110134
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O
InChIInChI=1S/C20H22ClN5O2/c21-16-11-23-25(13-16)12-15-8-18(19(27)9-15)24-20(28)10-14-2-4-17(5-3-14)26-7-1-6-22-26/h1-7,11,13,15,18-19,27H,8-10,12H2,(H,24,28)/t15?,18-,19-/m1/s1
InChIKeyJWCRGYOOUNZWSA-JCNKGUCWSA-N
XLogP2.22
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide
CID 167818537
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1H-imidazole-2-carboxamide
CID 146110070
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide
CID 146113984
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 146110037
3-(4-chloropyrazol-1-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]propanamide
CID 146110184
trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(1-phenylimidazol-2-yl)methylamino]cyclopentan-1-ol
CID 166285886
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetamide
CID 146110075
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]triazolo[1,5-a]pyridine-5-carboxamide
CID 146110061
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 98680919
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 146110132
trans-(1R,2R)-2-[[5-(5-chlorofuran-2-yl)-1H-pyrazol-4-yl]methylamino]-4-[(4-chloropyrazol-1-yl)methyl]cyclopentan-1-ol
CID 167827392
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-3-(6-methoxy-3-pyridinyl)propanamide
CID 154795160

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide (CID 146110134) is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2cccn2)cc1)N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O.
What is the InChIKey of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is JWCRGYOOUNZWSA-JCNKGUCWSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c21-16-11-23-25(13-16)12-15-8-18(19(27)9-15)24-20(28)10-14-2-4-17(5-3-14)26-7-1-6-22-26/h1-7,11,13,15,18-19,27H,8-10,12H2,(H,24,28)/t15?,18-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 399.88 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 146110134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).