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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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).