4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide

C11H13ClN6O2 — CID 4771010

IUPAC4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C11H13ClN6O2/c1-3-18-8(6(12)4-15-18)11(20)16-7-5-14-17(2)9(7)10(13)19/h4-5H,3H2,1-2H3,(H2,13,19)(H,16,20)
InChIKeyZUZSPHIYOUMIDP-UHFFFAOYSA-N
MW296.72 g/mol
LogP0.64
Rot. Bonds4

About 4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide

4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide (PubChem CID 4771010) has the molecular formula C11H13ClN6O2 and a molecular weight of 296.72 g/mol. Its IUPAC name is 4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
PubChem CID4771010
Molecular FormulaC11H13ClN6O2
Molecular Weight296.72 g/mol
Exact Mass296.08
IUPAC Name4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C11H13ClN6O2/c1-3-18-8(6(12)4-15-18)11(20)16-7-5-14-17(2)9(7)10(13)19/h4-5H,3H2,1-2H3,(H2,13,19)(H,16,20)
InChIKeyZUZSPHIYOUMIDP-UHFFFAOYSA-N
XLogP0.64
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19477417
5-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494263
1-ethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-5-carboxamide
CID 4772781
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 841895
4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide
CID 19477154
4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412367
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490170
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258
ethyl 2-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 6467478

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide (CID 4771010) is 4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1cnn(C)c1C(N)=O.
What is the InChIKey of 4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is ZUZSPHIYOUMIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O2/c1-3-18-8(6(12)4-15-18)11(20)16-7-5-14-17(2)9(7)10(13)19/h4-5H,3H2,1-2H3,(H2,13,19)(H,16,20).
What are the key properties of 4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide?
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 296.72 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4771010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).