4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide

C10H11ClN6O2 — CID 19479345

IUPAC4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2[nH]ncc2Cl)c(C(N)=O)n1
InChIInChI=1S/C10H11ClN6O2/c1-2-17-4-6(8(16-17)9(12)18)14-10(19)7-5(11)3-13-15-7/h3-4H,2H2,1H3,(H2,12,18)(H,13,15)(H,14,19)
InChIKeyYZRUGZSZVXCEEL-UHFFFAOYSA-N
MW282.69 g/mol
LogP0.63
Rot. Bonds4

About 4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide

4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 19479345) has the molecular formula C10H11ClN6O2 and a molecular weight of 282.69 g/mol. Its IUPAC name is 4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
PubChem CID19479345
Molecular FormulaC10H11ClN6O2
Molecular Weight282.69 g/mol
Exact Mass282.06
IUPAC Name4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2[nH]ncc2Cl)c(C(N)=O)n1
InChIInChI=1S/C10H11ClN6O2/c1-2-17-4-6(8(16-17)9(12)18)14-10(19)7-5(11)3-13-15-7/h3-4H,2H2,1H3,(H2,12,18)(H,13,15)(H,14,19)
InChIKeyYZRUGZSZVXCEEL-UHFFFAOYSA-N
XLogP0.63
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 4772267
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
1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide
CID 19412436
4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 4770344
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19333073
1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide
CID 19398313
4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412582
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide
CID 19575410
1-ethyl-4-formamidopyrazole-3-carboxamide
CID 4777031
4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412447
4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19271796

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide (CID 19479345) is 4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2[nH]ncc2Cl)c(C(N)=O)n1.
What is the InChIKey of 4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is YZRUGZSZVXCEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O2/c1-2-17-4-6(8(16-17)9(12)18)14-10(19)7-5(11)3-13-15-7/h3-4H,2H2,1H3,(H2,12,18)(H,13,15)(H,14,19).
What are the key properties of 4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide?
4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 282.69 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19479345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).