N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C16H15N3OS — CID 976339

IUPACN,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C16H15N3OS/c1-18(2)16(20)13-11-19(12-7-4-3-5-8-12)17-15(13)14-9-6-10-21-14/h3-11H,1-2H3
InChIKeyMANRSIZTYVDFNM-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.30
Rot. Bonds3

About N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 976339) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID976339
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C16H15N3OS/c1-18(2)16(20)13-11-19(12-7-4-3-5-8-12)17-15(13)14-9-6-10-21-14/h3-11H,1-2H3
InChIKeyMANRSIZTYVDFNM-UHFFFAOYSA-N
XLogP3.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 976339) is N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is MANRSIZTYVDFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-18(2)16(20)13-11-19(12-7-4-3-5-8-12)17-15(13)14-9-6-10-21-14/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 976339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).