[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone

C22H23N3O3 — CID 97114823

IUPAC[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CC[C@](O)(c3ccccc3C)C2)cn1
InChIInChI=1S/C22H23N3O3/c1-16-7-3-4-8-18(16)22(27)11-12-24(15-22)21(26)17-13-23-25(14-17)19-9-5-6-10-20(19)28-2/h3-10,13-14,27H,11-12,15H2,1-2H3/t22-/m1/s1
InChIKeyPQYNDDGCLJKWFP-JOCHJYFZSA-N
MW377.44 g/mol
LogP2.92
Rot. Bonds4

About [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone

[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone (PubChem CID 97114823) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
PubChem CID97114823
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CC[C@](O)(c3ccccc3C)C2)cn1
InChIInChI=1S/C22H23N3O3/c1-16-7-3-4-8-18(16)22(27)11-12-24(15-22)21(26)17-13-23-25(14-17)19-9-5-6-10-20(19)28-2/h3-10,13-14,27H,11-12,15H2,1-2H3/t22-/m1/s1
InChIKeyPQYNDDGCLJKWFP-JOCHJYFZSA-N
XLogP2.92
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97144723
[1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
CID 176504904
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 120809839
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 135108285
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97134508
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 56890894
(3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 125165700
[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70784414
[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 95885542
N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 77086056
[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70786049

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
The IUPAC name of [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone (CID 97114823) is [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone is COc1ccccc1-n1cc(C(=O)N2CC[C@](O)(c3ccccc3C)C2)cn1.
What is the InChIKey of [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
The InChIKey is PQYNDDGCLJKWFP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-7-3-4-8-18(16)22(27)11-12-24(15-22)21(26)17-13-23-25(14-17)19-9-5-6-10-20(19)28-2/h3-10,13-14,27H,11-12,15H2,1-2H3/t22-/m1/s1.
What are the key properties of [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone has a molecular weight of 377.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 97114823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).