[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone

C18H23N3O3 — CID 97144723

IUPAC[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CC(C)(C)[C@](C)(O)C2)cn1
InChIInChI=1S/C18H23N3O3/c1-17(2)11-20(12-18(17,3)23)16(22)13-9-19-21(10-13)14-7-5-6-8-15(14)24-4/h5-10,23H,11-12H2,1-4H3/t18-/m1/s1
InChIKeyMKPZUQSEVCELCI-GOSISDBHSA-N
MW329.40 g/mol
LogP2.11
Rot. Bonds3

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

[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone (PubChem CID 97144723) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
PubChem CID97144723
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CC(C)(C)[C@](C)(O)C2)cn1
InChIInChI=1S/C18H23N3O3/c1-17(2)11-20(12-18(17,3)23)16(22)13-9-19-21(10-13)14-7-5-6-8-15(14)24-4/h5-10,23H,11-12H2,1-4H3/t18-/m1/s1
InChIKeyMKPZUQSEVCELCI-GOSISDBHSA-N
XLogP2.11
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone with MolForge

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Related Compounds

[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97114823
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
[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
[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70786049
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97134508
[1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
CID 176504904
N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 77086056
(3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95708391
[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 154568541
[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 96575104
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 166614439

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
The IUPAC name of [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone (CID 97144723) is [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone is COc1ccccc1-n1cc(C(=O)N2CC(C)(C)[C@](C)(O)C2)cn1.
What is the InChIKey of [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
The InChIKey is MKPZUQSEVCELCI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-17(2)11-20(12-18(17,3)23)16(22)13-9-19-21(10-13)14-7-5-6-8-15(14)24-4/h5-10,23H,11-12H2,1-4H3/t18-/m1/s1.
What are the key properties of [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 97144723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).