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

C16H20ClN7O — CID 19525377

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide
SMILESCCn1cc(Cn2cc(NC(=O)Cn3nc(C)c(Cl)c3C)cn2)cn1
InChIInChI=1S/C16H20ClN7O/c1-4-22-7-13(5-18-22)8-23-9-14(6-19-23)20-15(25)10-24-12(3)16(17)11(2)21-24/h5-7,9H,4,8,10H2,1-3H3,(H,20,25)
InChIKeyGMOAHELTUUDFDK-UHFFFAOYSA-N
MW361.84 g/mol
LogP2.25
Rot. Bonds6

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

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide (PubChem CID 19525377) has the molecular formula C16H20ClN7O and a molecular weight of 361.84 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide
PubChem CID19525377
Molecular FormulaC16H20ClN7O
Molecular Weight361.84 g/mol
Exact Mass361.14
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide
SMILESCCn1cc(Cn2cc(NC(=O)Cn3nc(C)c(Cl)c3C)cn2)cn1
InChIInChI=1S/C16H20ClN7O/c1-4-22-7-13(5-18-22)8-23-9-14(6-19-23)20-15(25)10-24-12(3)16(17)11(2)21-24/h5-7,9H,4,8,10H2,1-3H3,(H,20,25)
InChIKeyGMOAHELTUUDFDK-UHFFFAOYSA-N
XLogP2.25
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]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-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19525394
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19525380
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 19519338
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19407710
N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 19395788
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19529423
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide
CID 19515874
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]propanamide
CID 19532065
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19471999
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563758
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(1-ethylpyrazol-4-yl)propanamide
CID 71688992

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide (CID 19525377) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide is CCn1cc(Cn2cc(NC(=O)Cn3nc(C)c(Cl)c3C)cn2)cn1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide?
The InChIKey is GMOAHELTUUDFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN7O/c1-4-22-7-13(5-18-22)8-23-9-14(6-19-23)20-15(25)10-24-12(3)16(17)11(2)21-24/h5-7,9H,4,8,10H2,1-3H3,(H,20,25).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 361.84 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 19525377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).