N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide

C16H15ClN6O2 — CID 154744015

IUPACN-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
SMILESCn1cc(-c2nn(C)cc2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cn1
InChIInChI=1S/C16H15ClN6O2/c1-22-7-9(6-19-22)14-12(8-23(2)21-14)16(25)20-10-3-4-11(15(18)24)13(17)5-10/h3-8H,1-2H3,(H2,18,24)(H,20,25)
InChIKeyGULUTXCYQNPNRJ-UHFFFAOYSA-N
MW358.79 g/mol
LogP1.83
Rot. Bonds4

About N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide

N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide (PubChem CID 154744015) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
PubChem CID154744015
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC NameN-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
SMILESCn1cc(-c2nn(C)cc2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cn1
InChIInChI=1S/C16H15ClN6O2/c1-22-7-9(6-19-22)14-12(8-23(2)21-14)16(25)20-10-3-4-11(15(18)24)13(17)5-10/h3-8H,1-2H3,(H2,18,24)(H,20,25)
InChIKeyGULUTXCYQNPNRJ-UHFFFAOYSA-N
XLogP1.83
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide (CID 154744015) is N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide is Cn1cc(-c2nn(C)cc2C(=O)Nc2ccc(C(N)=O)c(Cl)c2)cn1.
What is the InChIKey of N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The InChIKey is GULUTXCYQNPNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c1-22-7-9(6-19-22)14-12(8-23(2)21-14)16(25)20-10-3-4-11(15(18)24)13(17)5-10/h3-8H,1-2H3,(H2,18,24)(H,20,25).
What are the key properties of N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 154744015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).