4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide

C12H15ClN6O2 — CID 19520691

IUPAC4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2ncc(Cl)c2C)c(C(N)=O)n1
InChIInChI=1S/C12H15ClN6O2/c1-3-18-5-9(11(17-18)12(14)21)16-10(20)6-19-7(2)8(13)4-15-19/h4-5H,3,6H2,1-2H3,(H2,14,21)(H,16,20)
InChIKeyLPUDTCUYOZKJTA-UHFFFAOYSA-N
MW310.75 g/mol
LogP0.80
Rot. Bonds5

About 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide

4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 19520691) has the molecular formula C12H15ClN6O2 and a molecular weight of 310.75 g/mol. Its IUPAC name is 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
PubChem CID19520691
Molecular FormulaC12H15ClN6O2
Molecular Weight310.75 g/mol
Exact Mass310.09
IUPAC Name4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2ncc(Cl)c2C)c(C(N)=O)n1
InChIInChI=1S/C12H15ClN6O2/c1-3-18-5-9(11(17-18)12(14)21)16-10(20)6-19-7(2)8(13)4-15-19/h4-5H,3,6H2,1-2H3,(H2,14,21)(H,16,20)
InChIKeyLPUDTCUYOZKJTA-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

methyl 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19520772
4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 4770289
1-ethyl-4-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 4772267
methyl 4-[[2-(4-bromo-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19517919
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide
CID 19575410
4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19479345
4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 4770344
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19263448
1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19522625
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19568619
2-(4-chloro-5-methylpyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 19393480

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide (CID 19520691) is 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)Cn2ncc(Cl)c2C)c(C(N)=O)n1.
What is the InChIKey of 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is LPUDTCUYOZKJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O2/c1-3-18-5-9(11(17-18)12(14)21)16-10(20)6-19-7(2)8(13)4-15-19/h4-5H,3,6H2,1-2H3,(H2,14,21)(H,16,20).
What are the key properties of 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide?
4-[[2-(4-chloro-5-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-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19520691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).