(4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone

C10H15ClN4O — CID 141308487

IUPAC(4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2nn(C)cc2Cl)CCN1
InChIInChI=1S/C10H15ClN4O/c1-7-5-15(4-3-12-7)10(16)9-8(11)6-14(2)13-9/h6-7,12H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyZXKJBKZQWIVMAJ-ZETCQYMHSA-N
MW242.71 g/mol
LogP0.51
Rot. Bonds1

About (4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone

(4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 141308487) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID141308487
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2nn(C)cc2Cl)CCN1
InChIInChI=1S/C10H15ClN4O/c1-7-5-15(4-3-12-7)10(16)9-8(11)6-14(2)13-9/h6-7,12H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyZXKJBKZQWIVMAJ-ZETCQYMHSA-N
XLogP0.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-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-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 831977
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
CID 891856
4-chloro-1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 843848
ethyl 4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinecarboxylate
CID 842664
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903070
4-Chloro-1-methylpyrazol-5-yl 2-methylpiperidyl ketone
CID 3569167
(4-Chloro-2-methylpyrazol-3-yl)-(4-propylpiperazin-1-yl)methanone
CID 6466398
4-chloro-N-cycloheptyl-1-methyl-1H-pyrazole-3-carboxamide
CID 892375
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784
4-chloro-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19263329
4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19263348

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone (CID 141308487) is (4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone is C[C@H]1CN(C(=O)c2nn(C)cc2Cl)CCN1.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is ZXKJBKZQWIVMAJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-7-5-15(4-3-12-7)10(16)9-8(11)6-14(2)13-9/h6-7,12H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
(4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 242.71 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 141308487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).