N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide

C16H15N3OS — CID 653560

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccs1
InChIInChI=1S/C16H15N3OS/c1-11-15(17-16(20)14-9-6-10-21-14)12(2)19(18-11)13-7-4-3-5-8-13/h3-10H,1-2H3,(H,17,20)
InChIKeyZRZKHKGUNHQCIH-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.80
Rot. Bonds3

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 653560) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID653560
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccs1
InChIInChI=1S/C16H15N3OS/c1-11-15(17-16(20)14-9-6-10-21-14)12(2)19(18-11)13-7-4-3-5-8-13/h3-10H,1-2H3,(H,17,20)
InChIKeyZRZKHKGUNHQCIH-UHFFFAOYSA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide (CID 653560) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccs1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is ZRZKHKGUNHQCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-15(17-16(20)14-9-6-10-21-14)12(2)19(18-11)13-7-4-3-5-8-13/h3-10H,1-2H3,(H,17,20).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 653560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).