5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide

C22H21N3OS — CID 42949142

IUPAC5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC1CCSc2ccccc21)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C22H21N3OS/c26-22(24-19-12-13-27-20-9-5-4-8-17(19)20)18-14-23-25(21(18)15-10-11-15)16-6-2-1-3-7-16/h1-9,14-15,19H,10-13H2,(H,24,26)
InChIKeyBHMZTIPWQKLFGS-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.72
Rot. Bonds4

About 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide

5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 42949142) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID42949142
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC1CCSc2ccccc21)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C22H21N3OS/c26-22(24-19-12-13-27-20-9-5-4-8-17(19)20)18-14-23-25(21(18)15-10-11-15)16-6-2-1-3-7-16/h1-9,14-15,19H,10-13H2,(H,24,26)
InChIKeyBHMZTIPWQKLFGS-UHFFFAOYSA-N
XLogP4.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-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-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 41410768
N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477727
5-cyclopropyl-N-(2,3-dimethylcyclohexyl)-1-phenylpyrazole-4-carboxamide
CID 112814365
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
CID 51173241
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonylbenzamide
CID 8894216
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
5-cyclopropyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 39992666
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336899
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 8893170
3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 166271063
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 112846073
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide (CID 42949142) is 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide is O=C(NC1CCSc2ccccc21)c1cnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is BHMZTIPWQKLFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c26-22(24-19-12-13-27-20-9-5-4-8-17(19)20)18-14-23-25(21(18)15-10-11-15)16-6-2-1-3-7-16/h1-9,14-15,19H,10-13H2,(H,24,26).
What are the key properties of 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide?
5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 42949142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).