3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C16H21F3N4OS — CID 43069901

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C16H21F3N4OS/c1-9(2)7-23-11(4)12(10(3)22-23)5-6-14(24)21-15-20-13(8-25-15)16(17,18)19/h8-9H,5-7H2,1-4H3,(H,20,21,24)
InChIKeyQLAPHHMTRULWHO-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.20
Rot. Bonds6

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 43069901) has the molecular formula C16H21F3N4OS and a molecular weight of 374.43 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID43069901
Molecular FormulaC16H21F3N4OS
Molecular Weight374.43 g/mol
Exact Mass374.14
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C16H21F3N4OS/c1-9(2)7-23-11(4)12(10(3)22-23)5-6-14(24)21-15-20-13(8-25-15)16(17,18)19/h8-9H,5-7H2,1-4H3,(H,20,21,24)
InChIKeyQLAPHHMTRULWHO-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24581304
N-{[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 70779660
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(4-methylthiazol-2-yl)propanamide
CID 135885906
N-{2-[2-(3,5-dimethyl-1-pyrazolyl)-1,3-thiazol-4-yl]ethyl}-(S)-3-cyclohexene-1-carboxamide
CID 97041231
2-[2-[[2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 46977920
2-methyl-N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267395
2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-3-yl]acetamide
CID 178936584
N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
CID 178936756
(1R)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 178936766
N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 178936852
N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide
CID 178936909
(1S)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 178937054

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 43069901) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is QLAPHHMTRULWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4OS/c1-9(2)7-23-11(4)12(10(3)22-23)5-6-14(24)21-15-20-13(8-25-15)16(17,18)19/h8-9H,5-7H2,1-4H3,(H,20,21,24).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 374.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 43069901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).