N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide

C17H18N6O2 — CID 75472443

IUPACN-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3nn(C)cc3C(N)=O)cc2C)cc1
InChIInChI=1S/C17H18N6O2/c1-10-4-6-12(7-5-10)23-11(2)8-14(20-23)17(25)19-16-13(15(18)24)9-22(3)21-16/h4-9H,1-3H3,(H2,18,24)(H,19,21,25)
InChIKeyBNPASBHDQXKCCB-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.57
Rot. Bonds4

About N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide

N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 75472443) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID75472443
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3nn(C)cc3C(N)=O)cc2C)cc1
InChIInChI=1S/C17H18N6O2/c1-10-4-6-12(7-5-10)23-11(2)8-14(20-23)17(25)19-16-13(15(18)24)9-22(3)21-16/h4-9H,1-3H3,(H2,18,24)(H,19,21,25)
InChIKeyBNPASBHDQXKCCB-UHFFFAOYSA-N
XLogP1.57
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-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-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide (CID 75472443) is N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)Nc3nn(C)cc3C(N)=O)cc2C)cc1.
What is the InChIKey of N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is BNPASBHDQXKCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10-4-6-12(7-5-10)23-11(2)8-14(20-23)17(25)19-16-13(15(18)24)9-22(3)21-16/h4-9H,1-3H3,(H2,18,24)(H,19,21,25).
What are the key properties of N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide?
N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-1-methylpyrazol-3-yl)-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 75472443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).