N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide

C16H19N3OS — CID 134059626

IUPACN-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide
SMILESCc1ccsc1CNC(=O)C1CNNC1c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-11-7-8-21-14(11)10-17-16(20)13-9-18-19-15(13)12-5-3-2-4-6-12/h2-8,13,15,18-19H,9-10H2,1H3,(H,17,20)
InChIKeyDNKINUCTHJISSL-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.14
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide

N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide (PubChem CID 134059626) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide
PubChem CID134059626
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide
SMILESCc1ccsc1CNC(=O)C1CNNC1c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-11-7-8-21-14(11)10-17-16(20)13-9-18-19-15(13)12-5-3-2-4-6-12/h2-8,13,15,18-19H,9-10H2,1H3,(H,17,20)
InChIKeyDNKINUCTHJISSL-UHFFFAOYSA-N
XLogP2.14
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-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-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74621923
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide
CID 134027884
3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134080169
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 75590828
N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide
CID 74648336
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide
CID 52975465
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide
CID 78083937
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
N-cyclopropyl-3-(3-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazolidine-4-carboxamide
CID 134067430
N-[2-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 134068392
N-[(3-methylthiophen-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46449099
N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide
CID 134079697

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide (CID 134059626) is N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide is Cc1ccsc1CNC(=O)C1CNNC1c1ccccc1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide?
The InChIKey is DNKINUCTHJISSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-7-8-21-14(11)10-17-16(20)13-9-18-19-15(13)12-5-3-2-4-6-12/h2-8,13,15,18-19H,9-10H2,1H3,(H,17,20).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide?
N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide is sourced from PubChem (CID 134059626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).