(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C16H18ClN3O2 — CID 111694905

IUPAC(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC[C@H](O)C1
InChIInChI=1S/C16H18ClN3O2/c1-11-14(16(22)19-8-7-13(21)10-19)15(17)20(18-11)9-12-5-3-2-4-6-12/h2-6,13,21H,7-10H2,1H3/t13-/m0/s1
InChIKeyLIBHISHESSFHKG-ZDUSSCGKSA-N
MW319.79 g/mol
LogP2.10
Rot. Bonds3

About (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 111694905) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID111694905
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC[C@H](O)C1
InChIInChI=1S/C16H18ClN3O2/c1-11-14(16(22)19-8-7-13(21)10-19)15(17)20(18-11)9-12-5-3-2-4-6-12/h2-6,13,21H,7-10H2,1H3/t13-/m0/s1
InChIKeyLIBHISHESSFHKG-ZDUSSCGKSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 95139427
(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 95900961
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56544545
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18282347
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 7557482
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
CID 56810648
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 26290398
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 32646074
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859788
2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014653
1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide
CID 55469052

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 111694905) is (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC[C@H](O)C1.
What is the InChIKey of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is LIBHISHESSFHKG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-11-14(16(22)19-8-7-13(21)10-19)15(17)20(18-11)9-12-5-3-2-4-6-12/h2-6,13,21H,7-10H2,1H3/t13-/m0/s1.
What are the key properties of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 319.79 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 111694905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).