N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide

C16H15N3OS — CID 18117310

IUPACN-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H15N3OS/c1-18(11-13-7-10-21-12-13)16(20)14-3-5-15(6-4-14)19-9-2-8-17-19/h2-10,12H,11H2,1H3
InChIKeySDWQBGKNNQXJDO-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.21
Rot. Bonds4

About N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide

N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 18117310) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID18117310
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H15N3OS/c1-18(11-13-7-10-21-12-13)16(20)14-3-5-15(6-4-14)19-9-2-8-17-19/h2-10,12H,11H2,1H3
InChIKeySDWQBGKNNQXJDO-UHFFFAOYSA-N
XLogP3.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56882809
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 70714246
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95862314
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047405
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 9171384
N-methyl-4-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 131898307
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 18117356
4-(difluoromethoxy)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
CID 70751227

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide (CID 18117310) is N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is SDWQBGKNNQXJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-18(11-13-7-10-21-12-13)16(20)14-3-5-15(6-4-14)19-9-2-8-17-19/h2-10,12H,11H2,1H3.
What are the key properties of N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide?
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 297.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 18117310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).