N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C19H22N4OS — CID 2333924

IUPACN-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H22N4OS/c1-22(2)12-7-11-20-19(24)16-14-23(15-8-4-3-5-9-15)21-18(16)17-10-6-13-25-17/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,20,24)
InChIKeyPVAUVBBKEVHLFF-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.28
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2333924) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2333924
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C19H22N4OS/c1-22(2)12-7-11-20-19(24)16-14-23(15-8-4-3-5-9-15)21-18(16)17-10-6-13-25-17/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,20,24)
InChIKeyPVAUVBBKEVHLFF-UHFFFAOYSA-N
XLogP3.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-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

1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 45285661
N-[2-(2-fluorophenoxy)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 18228769
N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10092573
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24517109
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10341461
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2308237
1-phenyl-N'-(1H-pyrrole-2-carbonyl)-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 78813902

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2333924) is N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is CN(C)CCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is PVAUVBBKEVHLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-22(2)12-7-11-20-19(24)16-14-23(15-8-4-3-5-9-15)21-18(16)17-10-6-13-25-17/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2333924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).