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

C10H9F3N4OS — CID 19508339

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(C(F)(F)F)[nH]n2)sc1C
InChIInChI=1S/C10H9F3N4OS/c1-4-5(2)19-9(14-4)15-8(18)6-3-7(17-16-6)10(11,12)13/h3H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyWVDYUYFLSSPAHA-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.75
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508339) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508339
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(C(F)(F)F)[nH]n2)sc1C
InChIInChI=1S/C10H9F3N4OS/c1-4-5(2)19-9(14-4)15-8(18)6-3-7(17-16-6)10(11,12)13/h3H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyWVDYUYFLSSPAHA-UHFFFAOYSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 1497062
2-Acetylamino-thiazole-4-carboxylic acid (3,5-dimethyl-1H-pyrazol-4-yl)-amide
CID 652326
5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 29049788
N-(5-acetyl-4-methylthiazol-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 16952132
N-(5-acetyl-4-methylthiazol-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 16952740
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide
CID 25854624
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 117762078
N-methyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide
CID 1477861
N-ethyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide
CID 3845539
N-allyl-2-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1-hydrazinecarbothioamide
CID 4679190
1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4770498
1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 17025310

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19508339) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is Cc1nc(NC(=O)c2cc(C(F)(F)F)[nH]n2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WVDYUYFLSSPAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c1-4-5(2)19-9(14-4)15-8(18)6-3-7(17-16-6)10(11,12)13/h3H,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 290.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).