N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide

C13H16N4O — CID 110461785

IUPACN-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2cnn(C)c2)c1
InChIInChI=1S/C13H16N4O/c1-16(2)12-6-4-5-11(7-12)15-13(18)10-8-14-17(3)9-10/h4-9H,1-3H3,(H,15,18)
InChIKeyFLRFUPCZICCJNI-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.74
Rot. Bonds3

About N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide

N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 110461785) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID110461785
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2cnn(C)c2)c1
InChIInChI=1S/C13H16N4O/c1-16(2)12-6-4-5-11(7-12)15-13(18)10-8-14-17(3)9-10/h4-9H,1-3H3,(H,15,18)
InChIKeyFLRFUPCZICCJNI-UHFFFAOYSA-N
XLogP1.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(dimethylamino)phenyl]-1-methylpyrazole-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

Related Compounds

N-[4-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110695872
1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide
CID 110471452
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 18146246
4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 115375767
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864
N-[3-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26140398
N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 19474486
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
1-methyl-N-[3-(2-phenoxyethoxymethyl)phenyl]pyrazole-4-carboxamide
CID 87006781
6-(cyclopropylamino)-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84570944

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide (CID 110461785) is N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide is CN(C)c1cccc(NC(=O)c2cnn(C)c2)c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is FLRFUPCZICCJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16(2)12-6-4-5-11(7-12)15-13(18)10-8-14-17(3)9-10/h4-9H,1-3H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide?
N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 110461785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).