(4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone

C10H14ClN3O — CID 841673

IUPAC(4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCc1c(Cl)c(C(=O)N2CCCC2)nn1C
InChIInChI=1S/C10H14ClN3O/c1-7-8(11)9(12-13(7)2)10(15)14-5-3-4-6-14/h3-6H2,1-2H3
InChIKeyQIORNVLLTJBNMS-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.62
Rot. Bonds1

About (4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone

(4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 841673) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is (4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID841673
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name(4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCc1c(Cl)c(C(=O)N2CCCC2)nn1C
InChIInChI=1S/C10H14ClN3O/c1-7-8(11)9(12-13(7)2)10(15)14-5-3-4-6-14/h3-6H2,1-2H3
InChIKeyQIORNVLLTJBNMS-UHFFFAOYSA-N
XLogP1.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone 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

4-Chloro-3-ethyl-1-methylpyrazole-5-carboxamide
CID 23359470
4-Chloro-1,3-dimethyl-1H-pyrazole-5-carbohydrazide
CID 593923
1-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]azepane
CID 844749
4-chloro-N-cyclopentyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 832003
(4-Chloro-2,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1236013
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-chloro-N-cyclopentyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768561
(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)(4-methyl-1H-pyrazol-1-yl)methanone
CID 4769449
{(3R*,4R*)-1-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-3-yl}methanol
CID 70715783
4-Chloro-1-ethyl-3-methylpyrazole-5-carbonyl chloride
CID 139236855
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768527
4-chloro-N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769853

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone (CID 841673) is (4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone is Cc1c(Cl)c(C(=O)N2CCCC2)nn1C.
What is the InChIKey of (4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is QIORNVLLTJBNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-8(11)9(12-13(7)2)10(15)14-5-3-4-6-14/h3-6H2,1-2H3.
What are the key properties of (4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone?
(4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 227.69 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 841673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).