3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

C14H12N4OS — CID 3076201

IUPAC3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nccs3)[nH]n2)cc1
InChIInChI=1S/C14H12N4OS/c1-9-2-4-10(5-3-9)11-8-12(18-17-11)13(19)16-14-15-6-7-20-14/h2-8H,1H3,(H,17,18)(H,15,16,19)
InChIKeyYVKHXBLYUWHHLM-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.09
Rot. Bonds3

About 3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 3076201) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID3076201
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nccs3)[nH]n2)cc1
InChIInChI=1S/C14H12N4OS/c1-9-2-4-10(5-3-9)11-8-12(18-17-11)13(19)16-14-15-6-7-20-14/h2-8H,1H3,(H,17,18)(H,15,16,19)
InChIKeyYVKHXBLYUWHHLM-UHFFFAOYSA-N
XLogP3.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 3076201) is 3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nccs3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is YVKHXBLYUWHHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-9-2-4-10(5-3-9)11-8-12(18-17-11)13(19)16-14-15-6-7-20-14/h2-8H,1H3,(H,17,18)(H,15,16,19).
What are the key properties of 3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3076201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).