N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H18F3N5O2S — CID 3874208

IUPACN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)c1C#N
InChIInChI=1S/C20H18F3N5O2S/c1-3-11-10(2)31-19(12(11)9-24)26-18(29)14-8-17-25-13(15-5-4-6-30-15)7-16(20(21,22)23)28(17)27-14/h4-6,8,13,16,25H,3,7H2,1-2H3,(H,26,29)
InChIKeyHRCMLIAHSZCVTI-UHFFFAOYSA-N
MW449.46 g/mol
LogP5.19
Rot. Bonds4

About N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3874208) has the molecular formula C20H18F3N5O2S and a molecular weight of 449.46 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3874208
Molecular FormulaC20H18F3N5O2S
Molecular Weight449.46 g/mol
Exact Mass449.11
IUPAC NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)c1C#N
InChIInChI=1S/C20H18F3N5O2S/c1-3-11-10(2)31-19(12(11)9-24)26-18(29)14-8-17-25-13(15-5-4-6-30-15)7-16(20(21,22)23)28(17)27-14/h4-6,8,13,16,25H,3,7H2,1-2H3,(H,26,29)
InChIKeyHRCMLIAHSZCVTI-UHFFFAOYSA-N
XLogP5.19
TPSA95.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.46
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 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

(5S,7R)-3-chloro-5-(2-furyl)-N-(2-thienylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1127738
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl-phenyl-amide
CID 654439
3-chloro-5-(2-furyl)-N-(2-thienylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2883967
[5-(2-furyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhydroi n-2-yl)]-N-(methylethyl)carboxamide
CID 3148191
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid cycloheptylamide
CID 649527
2-{[5-(2-Furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 2945523
1-{[5-(2-furyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhyd roin-2-yl]carbonyl}piperidine-4-carboxamide
CID 3148222
5-(furan-2-yl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133736
Ethyl 2-({[5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
CID 2883885
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1111049
(5R,7S)-3-chloro-5-(2-furyl)-N-(2-thienylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1127735
N-(2-furylmethyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2884892

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3874208) is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1c(C)sc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)c1C#N.
What is the InChIKey of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HRCMLIAHSZCVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2S/c1-3-11-10(2)31-19(12(11)9-24)26-18(29)14-8-17-25-13(15-5-4-6-30-15)7-16(20(21,22)23)28(17)27-14/h4-6,8,13,16,25H,3,7H2,1-2H3,(H,26,29).
What are the key properties of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3874208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).