4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide

C12H15ClN6O2 — CID 4770289

IUPAC4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2cc(Cl)c(C)n2)c(C(N)=O)n1
InChIInChI=1S/C12H15ClN6O2/c1-3-18-5-9(11(17-18)12(14)21)15-10(20)6-19-4-8(13)7(2)16-19/h4-5H,3,6H2,1-2H3,(H2,14,21)(H,15,20)
InChIKeyXKVOBPYEYQKQIV-UHFFFAOYSA-N
MW310.75 g/mol
LogP0.80
Rot. Bonds5

About 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide

4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 4770289) has the molecular formula C12H15ClN6O2 and a molecular weight of 310.75 g/mol. Its IUPAC name is 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
PubChem CID4770289
Molecular FormulaC12H15ClN6O2
Molecular Weight310.75 g/mol
Exact Mass310.09
IUPAC Name4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2cc(Cl)c(C)n2)c(C(N)=O)n1
InChIInChI=1S/C12H15ClN6O2/c1-3-18-5-9(11(17-18)12(14)21)15-10(20)6-19-4-8(13)7(2)16-19/h4-5H,3,6H2,1-2H3,(H2,14,21)(H,15,20)
InChIKeyXKVOBPYEYQKQIV-UHFFFAOYSA-N
XLogP0.80
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide
CID 19575410
4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19520691
1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887
4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398392
1-ethyl-4-formamidopyrazole-3-carboxamide
CID 4777031
4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19479345
2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 19518329
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19568619
methyl 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19520772
2-(4-chloro-3-methylpyrazol-1-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19521189
1-ethyl-4-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 4772267
4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412582

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide (CID 4770289) is 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)Cn2cc(Cl)c(C)n2)c(C(N)=O)n1.
What is the InChIKey of 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is XKVOBPYEYQKQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O2/c1-3-18-5-9(11(17-18)12(14)21)15-10(20)6-19-4-8(13)7(2)16-19/h4-5H,3,6H2,1-2H3,(H2,14,21)(H,15,20).
What are the key properties of 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide?
4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 310.75 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 4770289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).