4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one

C18H22N4O2 — CID 97065035

IUPAC4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(N[C@H]2CCN(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H22N4O2/c1-12-16(19-15-10-11-21(17(15)23)13-8-9-13)18(24)22(20(12)2)14-6-4-3-5-7-14/h3-7,13,15,19H,8-11H2,1-2H3/t15-/m0/s1
InChIKeyZIWYHWRQMTYUET-HNNXBMFYSA-N
MW326.40 g/mol
LogP1.66
Rot. Bonds4

About 4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 97065035) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID97065035
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(N[C@H]2CCN(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H22N4O2/c1-12-16(19-15-10-11-21(17(15)23)13-8-9-13)18(24)22(20(12)2)14-6-4-3-5-7-14/h3-7,13,15,19H,8-11H2,1-2H3/t15-/m0/s1
InChIKeyZIWYHWRQMTYUET-HNNXBMFYSA-N
XLogP1.66
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one with MolForge

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Related Compounds

CID 175754430
CID 175754430
(7S)-3-cyclohexyl-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 51700698
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969735
cis-(1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1008555
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 22194062
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxothiolane-3-carboxamide
CID 18089284
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 119261452
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592354
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
cyclohexyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
CID 24844248
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 4583375
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860913

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 97065035) is 4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(N[C@H]2CCN(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is ZIWYHWRQMTYUET-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-16(19-15-10-11-21(17(15)23)13-8-9-13)18(24)22(20(12)2)14-6-4-3-5-7-14/h3-7,13,15,19H,8-11H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 326.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 97065035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).