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

C14H12N4O2S — CID 3076202

IUPAC3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nccs3)[nH]n2)cc1
InChIInChI=1S/C14H12N4O2S/c1-20-10-4-2-9(3-5-10)11-8-12(18-17-11)13(19)16-14-15-6-7-21-14/h2-8H,1H3,(H,17,18)(H,15,16,19)
InChIKeyCLKLUNYELBYANB-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.79
Rot. Bonds4

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

3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 3076202) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID3076202
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nccs3)[nH]n2)cc1
InChIInChI=1S/C14H12N4O2S/c1-20-10-4-2-9(3-5-10)11-8-12(18-17-11)13(19)16-14-15-6-7-21-14/h2-8H,1H3,(H,17,18)(H,15,16,19)
InChIKeyCLKLUNYELBYANB-UHFFFAOYSA-N
XLogP2.79
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide
CID 649180
3-(4-methoxyphenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1068314
3-(4-isobutoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 1287415
3-(3-methoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 2201062
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
3-(3,4-dimethoxyphenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1068317
5-phenyl-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 14617322
N-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 49792745
N-[4-[amino-(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 155539507
5-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 16003332
(5Z)-2-imino-5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 44579065
N-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 134147613

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 3076202) is 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3nccs3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is CLKLUNYELBYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-20-10-4-2-9(3-5-10)11-8-12(18-17-11)13(19)16-14-15-6-7-21-14/h2-8H,1H3,(H,17,18)(H,15,16,19).
What are the key properties of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3076202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).