4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide

C13H17ClN6O2 — CID 4776916

IUPAC4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)C(C)n1ncc(Cl)c1C
InChIInChI=1S/C13H17ClN6O2/c1-7-9(14)5-16-20(7)8(2)12(21)17-10-6-19(4)18-11(10)13(22)15-3/h5-6,8H,1-4H3,(H,15,22)(H,17,21)
InChIKeyCYRRRTPLLGQNGM-UHFFFAOYSA-N
MW324.77 g/mol
LogP1.14
Rot. Bonds4

About 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide

4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 4776916) has the molecular formula C13H17ClN6O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID4776916
Molecular FormulaC13H17ClN6O2
Molecular Weight324.77 g/mol
Exact Mass324.11
IUPAC Name4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)C(C)n1ncc(Cl)c1C
InChIInChI=1S/C13H17ClN6O2/c1-7-9(14)5-16-20(7)8(2)12(21)17-10-6-19(4)18-11(10)13(22)15-3/h5-6,8H,1-4H3,(H,15,22)(H,17,21)
InChIKeyCYRRRTPLLGQNGM-UHFFFAOYSA-N
XLogP1.14
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide 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-1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 843848
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 165415439
4-(3-butylureido)-1-ethyl-1H-pyrazole-5-carboxamide
CID 661464
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide hydrochloride
CID 44630897
4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65354000
4-{[2-(4-Chloro-5-methyl-1H-pyrazol-1-YL)propanoyl]amino}-1-ethyl-N-isobutyl-1H-pyrazole-3-carboxamide
CID 4776458
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 4776508
4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-1-ethyl-N-propyl-1H-pyrazole-3-carboxamide
CID 4776652
Methyl 4-{[2-(4-chloro-5-methyl-1H-pyrazol-1-YL)propanoyl]amino}-1-ethyl-1H-pyrazole-3-carboxylate
CID 4776743
4-chloro-N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 17024057
4-chloro-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19263329

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide (CID 4776916) is 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)C(C)n1ncc(Cl)c1C.
What is the InChIKey of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is CYRRRTPLLGQNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O2/c1-7-9(14)5-16-20(7)8(2)12(21)17-10-6-19(4)18-11(10)13(22)15-3/h5-6,8H,1-4H3,(H,15,22)(H,17,21).
What are the key properties of 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide?
4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 4776916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).