4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide

C13H17ClN6O2 — CID 19575410

IUPAC4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCn2cc(Cl)c(C)n2)c(C(N)=O)n1
InChIInChI=1S/C13H17ClN6O2/c1-3-19-7-10(12(18-19)13(15)22)16-11(21)4-5-20-6-9(14)8(2)17-20/h6-7H,3-5H2,1-2H3,(H2,15,22)(H,16,21)
InChIKeyRCNAMCLQTCCUGL-UHFFFAOYSA-N
MW324.77 g/mol
LogP1.19
Rot. Bonds6

About 4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide

4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide (PubChem CID 19575410) has the molecular formula C13H17ClN6O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is 4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide
PubChem CID19575410
Molecular FormulaC13H17ClN6O2
Molecular Weight324.77 g/mol
Exact Mass324.11
IUPAC Name4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCn2cc(Cl)c(C)n2)c(C(N)=O)n1
InChIInChI=1S/C13H17ClN6O2/c1-3-19-7-10(12(18-19)13(15)22)16-11(21)4-5-20-6-9(14)8(2)17-20/h6-7H,3-5H2,1-2H3,(H2,15,22)(H,16,21)
InChIKeyRCNAMCLQTCCUGL-UHFFFAOYSA-N
XLogP1.19
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 4770289
1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887
4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 4777173
4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19520691
1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539981
3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
CID 19544009
propan-2-yl 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19404429
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19549789
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19568619
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]benzoic acid
CID 19584106
4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19479345
3-(4-chloro-3-methylpyrazol-1-yl)-N-hexylpropanamide
CID 19543945

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide (CID 19575410) is 4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)CCn2cc(Cl)c(C)n2)c(C(N)=O)n1.
What is the InChIKey of 4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is RCNAMCLQTCCUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O2/c1-3-19-7-10(12(18-19)13(15)22)16-11(21)4-5-20-6-9(14)8(2)17-20/h6-7H,3-5H2,1-2H3,(H2,15,22)(H,16,21).
What are the key properties of 4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide?
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 1.19, 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-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19575410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).