N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide

C23H23F3N4OS — CID 169169618

IUPACN-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCn1nc(-c2cnc(-c3ccccc3)s2)c(C2CCC2)c1NC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C23H23F3N4OS/c1-30-20(28-17(31)12-22(10-11-22)23(24,25)26)18(14-8-5-9-14)19(29-30)16-13-27-21(32-16)15-6-3-2-4-7-15/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,28,31)
InChIKeyNFPSPNBQSVGDNU-UHFFFAOYSA-N
MW460.53 g/mol
LogP6.15
Rot. Bonds6

About N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide

N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 169169618) has the molecular formula C23H23F3N4OS and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID169169618
Molecular FormulaC23H23F3N4OS
Molecular Weight460.53 g/mol
Exact Mass460.15
IUPAC NameN-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCn1nc(-c2cnc(-c3ccccc3)s2)c(C2CCC2)c1NC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C23H23F3N4OS/c1-30-20(28-17(31)12-22(10-11-22)23(24,25)26)18(14-8-5-9-14)19(29-30)16-13-27-21(32-16)15-6-3-2-4-7-15/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,28,31)
InChIKeyNFPSPNBQSVGDNU-UHFFFAOYSA-N
XLogP6.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-phenyl-N-[3-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73353866
N-{4-[2-(2-{3-[5-tert-Butyl-2-(4-fluoro-phenyl)-2H-pyrazol-3-yl]-ureido}-thiazol-5-yl)-ethyl]-pyridin-2-yl}-acetamide
CID 148433438
N-{4-[2-(2-{3-[5-tert-Butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-ureido}-thiazol-5-yl)-ethyl]-pyridin-2-yl}-acetamide
CID 156239911
3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135526339
Cyclopropanecarboxylic acid [4-(2-{2-[3-(5-tert-butyl-2-cyclopropylmethyl-2H-pyrazol-3-yl)-ureido]-thiazol-5-yl}-ethyl)-pyridin-2-yl]-amide
CID 147411992
Cyclobutanecarboxylic acid [4-(2-{2-[3-(5-tert-butyl-2-cyclopropylmethyl-2H-pyrazol-3-yl)-ureido]-thiazol-5-yl}-ethyl)-pyridin-2-yl]-airdde
CID 148008286
N-[4-(2-{2-[3-(5-tert-Butyl-2-isopropyl-2H-pyrazol-3-yl)-ureido]-thiazol-5-yl}-ethyl)-pyridin-2-yl]-acetamide
CID 148028369
Cyclopropanecarboxylic acid [4-(2-{2-[3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-ureido]-thiazol-5-yl}ethyl)-pyridin-2-yl]-amide
CID 148109386
Cyclobutanecarboxylic acid [4-(2-{2-[3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-ureido]-thiazol-5-yl}-ethyl)-pyridin-2-yl]-amide
CID 148382684
N-[4-(2-{2-[3-(5-tert-Butyl-2-cyclopropylmethyl-2H-pyrazol-3-yl)-ureido]-thiazol-5-yl}-ethyl)-pyridin-2-yl]-amide
CID 149787270
N-[4-(2-{2-[3-(5-tert-Butyl-2-cyclopropylmethyl-2H-pyrazol-3-yl)-ureido]-thiazol-5-yl}-ethyl)-pyridin-2-yl]-acetamide
CID 150208668
N-[4-(2-{2-[3-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-ureido]-thiazol-5-yl}-ethyl)-pyridin-2-yl]-isobutyramide
CID 150336455

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 169169618) is N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide is Cn1nc(-c2cnc(-c3ccccc3)s2)c(C2CCC2)c1NC(=O)CC1(C(F)(F)F)CC1.
What is the InChIKey of N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is NFPSPNBQSVGDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4OS/c1-30-20(28-17(31)12-22(10-11-22)23(24,25)26)18(14-8-5-9-14)19(29-30)16-13-27-21(32-16)15-6-3-2-4-7-15/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,28,31).
What are the key properties of N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 460.53 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-1-methyl-3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-5-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 169169618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).