2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide

C12H16ClN5O — CID 19525222

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCc1nn(CC(=O)NCc2ccnn2C)c(C)c1Cl
InChIInChI=1S/C12H16ClN5O/c1-8-12(13)9(2)18(16-8)7-11(19)14-6-10-4-5-15-17(10)3/h4-5H,6-7H2,1-3H3,(H,14,19)
InChIKeySPWVBPJQGAZSKO-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.20
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 19525222) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
PubChem CID19525222
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCc1nn(CC(=O)NCc2ccnn2C)c(C)c1Cl
InChIInChI=1S/C12H16ClN5O/c1-8-12(13)9(2)18(16-8)7-11(19)14-6-10-4-5-15-17(10)3/h4-5H,6-7H2,1-3H3,(H,14,19)
InChIKeySPWVBPJQGAZSKO-UHFFFAOYSA-N
XLogP1.20
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide 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

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 19549527
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19557805
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 125168181
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
3-[[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]benzoic acid
CID 91644937
1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide
CID 19281603
N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride
CID 119384557
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460706
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19540198
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19278434
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110901681

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide (CID 19525222) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide is Cc1nn(CC(=O)NCc2ccnn2C)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is SPWVBPJQGAZSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-8-12(13)9(2)18(16-8)7-11(19)14-6-10-4-5-15-17(10)3/h4-5H,6-7H2,1-3H3,(H,14,19).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 281.75 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19525222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).