4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide

C15H21ClN6O2 — CID 19568619

IUPAC4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C(C)Cn2nc(C)c(Cl)c2C)c(C(N)=O)n1
InChIInChI=1S/C15H21ClN6O2/c1-5-21-7-11(13(20-21)14(17)23)18-15(24)8(2)6-22-10(4)12(16)9(3)19-22/h7-8H,5-6H2,1-4H3,(H2,17,23)(H,18,24)
InChIKeyRZZQIKCHTFLFDU-UHFFFAOYSA-N
MW352.83 g/mol
LogP1.74
Rot. Bonds6

About 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide

4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 19568619) has the molecular formula C15H21ClN6O2 and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide
PubChem CID19568619
Molecular FormulaC15H21ClN6O2
Molecular Weight352.83 g/mol
Exact Mass352.14
IUPAC Name4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C(C)Cn2nc(C)c(Cl)c2C)c(C(N)=O)n1
InChIInChI=1S/C15H21ClN6O2/c1-5-21-7-11(13(20-21)14(17)23)18-15(24)8(2)6-22-10(4)12(16)9(3)19-22/h7-8H,5-6H2,1-4H3,(H2,17,23)(H,18,24)
InChIKeyRZZQIKCHTFLFDU-UHFFFAOYSA-N
XLogP1.74
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19568696
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412394
(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 35526261
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide
CID 19575410
4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 4770289
4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19520691
4-[[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19564419
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-methylpropanamide
CID 19568700
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)-2-methylpropanamide
CID 19584563
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-chloro-5-nitrophenyl)-2-methylpropanamide
CID 19568568
1-ethyl-4-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 4772267
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 19568656

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide (CID 19568619) is 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)C(C)Cn2nc(C)c(Cl)c2C)c(C(N)=O)n1.
What is the InChIKey of 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is RZZQIKCHTFLFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O2/c1-5-21-7-11(13(20-21)14(17)23)18-15(24)8(2)6-22-10(4)12(16)9(3)19-22/h7-8H,5-6H2,1-4H3,(H2,17,23)(H,18,24).
What are the key properties of 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide?
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19568619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).