5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H22F3N7O2 — CID 19466414

IUPAC5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)c(C(=O)NC)n1
InChIInChI=1S/C19H22F3N7O2/c1-6-28-9-11(15(27-28)17(31)23-5)24-16(30)10-7-14-25-12(18(2,3)4)8-13(19(20,21)22)29(14)26-10/h7-9H,6H2,1-5H3,(H,23,31)(H,24,30)
InChIKeyPWXDXPMHUVGFIA-UHFFFAOYSA-N
MW437.43 g/mol
LogP2.87
Rot. Bonds4

About 5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466414) has the molecular formula C19H22F3N7O2 and a molecular weight of 437.43 g/mol. Its IUPAC name is 5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19466414
Molecular FormulaC19H22F3N7O2
Molecular Weight437.43 g/mol
Exact Mass437.18
IUPAC Name5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)c(C(=O)NC)n1
InChIInChI=1S/C19H22F3N7O2/c1-6-28-9-11(15(27-28)17(31)23-5)24-16(30)10-7-14-25-12(18(2,3)4)8-13(19(20,21)22)29(14)26-10/h7-9H,6H2,1-5H3,(H,23,31)(H,24,30)
InChIKeyPWXDXPMHUVGFIA-UHFFFAOYSA-N
XLogP2.87
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[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

5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466439
5-tert-butyl-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466160
5-tert-butyl-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466436
5-tert-butyl-N-(2,6-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466188
propan-2-yl 1-ethyl-4-[[5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19404590
5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466300
N-(3-carbamoyl-1-ethylpyrazol-4-yl)-5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19412625
5-tert-butyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466261
5-tert-butyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466177
5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466432
5-tert-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466393
5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466316

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466414) is 5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(NC(=O)c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)c(C(=O)NC)n1.
What is the InChIKey of 5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PWXDXPMHUVGFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O2/c1-6-28-9-11(15(27-28)17(31)23-5)24-16(30)10-7-14-25-12(18(2,3)4)8-13(19(20,21)22)29(14)26-10/h7-9H,6H2,1-5H3,(H,23,31)(H,24,30).
What are the key properties of 5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 437.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).