N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H14F3N7O — CID 19451398

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12
InChIInChI=1S/C21H14F3N7O/c22-21(23,24)17-8-16(12-6-7-12)28-19-15(11-27-31(17)19)20(32)29-18-13(9-25)10-26-30(18)14-4-2-1-3-5-14/h1-5,8,10-12H,6-7H2,(H,29,32)
InChIKeyLETGGYSYSJTOMZ-UHFFFAOYSA-N
MW437.39 g/mol
LogP3.94
Rot. Bonds4

About N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19451398) has the molecular formula C21H14F3N7O and a molecular weight of 437.39 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19451398
Molecular FormulaC21H14F3N7O
Molecular Weight437.39 g/mol
Exact Mass437.12
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12
InChIInChI=1S/C21H14F3N7O/c22-21(23,24)17-8-16(12-6-7-12)28-19-15(11-27-31(17)19)20(32)29-18-13(9-25)10-26-30(18)14-4-2-1-3-5-14/h1-5,8,10-12H,6-7H2,(H,29,32)
InChIKeyLETGGYSYSJTOMZ-UHFFFAOYSA-N
XLogP3.94
TPSA100.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-cyanophenyl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451336
N-(4-cyano-1-phenylpyrazol-5-yl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447094
5-cyclopropyl-N-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451435
5-cyclopropyl-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19449681
5-cyclopropyl-N-(2,6-dibromo-4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19449596
N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474111
5-cyclopropyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451371
N-(5-carbamoyl-1-methylpyrazol-4-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768932
ethyl 5-[[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19460205
5-cyclopropyl-N-(4-ethoxy-2-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19449664
methyl 2-[(4-cyano-1-phenylpyrazol-5-yl)carbamoyl]benzoate
CID 108798676
5-cyclopropyl-N-[1-(methoxymethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19451430

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19451398) is N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#Cc1cnn(-c2ccccc2)c1NC(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LETGGYSYSJTOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N7O/c22-21(23,24)17-8-16(12-6-7-12)28-19-15(11-27-31(17)19)20(32)29-18-13(9-25)10-26-30(18)14-4-2-1-3-5-14/h1-5,8,10-12H,6-7H2,(H,29,32).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19451398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).