1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide

C12H11ClN4O2 — CID 143035594

IUPAC1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide
SMILESCc1ccc(-n2cc(NC=O)c(C(N)=O)n2)cc1Cl
InChIInChI=1S/C12H11ClN4O2/c1-7-2-3-8(4-9(7)13)17-5-10(15-6-18)11(16-17)12(14)19/h2-6H,1H3,(H2,14,19)(H,15,18)
InChIKeyKESZRBFXGSZHAW-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.50
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide

1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide (PubChem CID 143035594) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide
PubChem CID143035594
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide
SMILESCc1ccc(-n2cc(NC=O)c(C(N)=O)n2)cc1Cl
InChIInChI=1S/C12H11ClN4O2/c1-7-2-3-8(4-9(7)13)17-5-10(15-6-18)11(16-17)12(14)19/h2-6H,1H3,(H2,14,19)(H,15,18)
InChIKeyKESZRBFXGSZHAW-UHFFFAOYSA-N
XLogP1.50
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-cyanophenyl)phenyl]-4-formamidopyrazole-3-carboxamide;methanamine
CID 143035580
4-(carbamoylamino)-1-(3,4-dimethylphenyl)pyrazole-3-carboxamide;ethane
CID 143035629
1-(3-chloro-4-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 63952624
1-(3-chloro-4-methylphenyl)-4-oxopyridazine-3-carboxylic acid
CID 18802040
4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 11379910
1-(3-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82198923
1-ethyl-4-formamidopyrazole-3-carboxamide
CID 4777031
1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
1-[1-(3-chloro-4-methylphenyl)-3-methylpyrazol-4-yl]propan-2-one
CID 116817841
N-[2-(3-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]formamide
CID 177061778
methyl 1-(3,4-dichlorophenyl)-4-formylpyrazole-3-carboxylate
CID 94712373
ethane;4-formamido-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide;4-(4-methyl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 163400384

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide (CID 143035594) is 1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide is Cc1ccc(-n2cc(NC=O)c(C(N)=O)n2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide?
The InChIKey is KESZRBFXGSZHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-7-2-3-8(4-9(7)13)17-5-10(15-6-18)11(16-17)12(14)19/h2-6H,1H3,(H2,14,19)(H,15,18).
What are the key properties of 1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide?
1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-4-formamidopyrazole-3-carboxamide is sourced from PubChem (CID 143035594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).