N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide

C16H22N4O — CID 45285661

IUPACN-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)cc1C(=O)NCCCN(C)C
InChIInChI=1S/C16H22N4O/c1-13-15(16(21)17-10-7-11-19(2)3)12-20(18-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,17,21)
InChIKeyHOWXDKVDVHVMSF-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.86
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide

N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 45285661) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID45285661
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)cc1C(=O)NCCCN(C)C
InChIInChI=1S/C16H22N4O/c1-13-15(16(21)17-10-7-11-19(2)3)12-20(18-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,17,21)
InChIKeyHOWXDKVDVHVMSF-UHFFFAOYSA-N
XLogP1.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-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-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474292
3-[methyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232920
6-[[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]amino]hexanoic acid
CID 119352202
4-chloro-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626634
4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544806
N-(3-hydroxypropyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78796345
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 78781187
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119583661

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide (CID 45285661) is N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)cc1C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is HOWXDKVDVHVMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13-15(16(21)17-10-7-11-19(2)3)12-20(18-13)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,17,21).
What are the key properties of N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 45285661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).