1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide

C21H23N3O2S — CID 90610643

IUPAC1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C21H23N3O2S/c1-23-20(14-19(22-23)16-6-3-2-4-7-16)21(25)24(15-18-8-5-13-27-18)17-9-11-26-12-10-17/h2-8,13-14,17H,9-12,15H2,1H3
InChIKeyKVQBGWIJTHKBQE-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.97
Rot. Bonds5

About 1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide

1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 90610643) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID90610643
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C21H23N3O2S/c1-23-20(14-19(22-23)16-6-3-2-4-7-16)21(25)24(15-18-8-5-13-27-18)17-9-11-26-12-10-17/h2-8,13-14,17H,9-12,15H2,1H3
InChIKeyKVQBGWIJTHKBQE-UHFFFAOYSA-N
XLogP3.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-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-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768
N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 90610596
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 90610645
4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide
CID 73167804
(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 99873303
N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 47074872
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90610702
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 90610662
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
N-(1-methyl-3-phenylpyrazol-5-yl)-2-thiophen-2-ylacetamide
CID 155909949

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide (CID 90610643) is 1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is KVQBGWIJTHKBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-23-20(14-19(22-23)16-6-3-2-4-7-16)21(25)24(15-18-8-5-13-27-18)17-9-11-26-12-10-17/h2-8,13-14,17H,9-12,15H2,1H3.
What are the key properties of 1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 90610643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).