5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H18F4N4O — CID 5101270

IUPAC5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2n(n1)C(C(F)(F)F)CC(C1CC1)N2
InChIInChI=1S/C18H18F4N4O/c19-12-5-1-10(2-6-12)9-23-17(27)14-8-16-24-13(11-3-4-11)7-15(18(20,21)22)26(16)25-14/h1-2,5-6,8,11,13,15,24H,3-4,7,9H2,(H,23,27)
InChIKeyIHQXUNFQJANBGX-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.65
Rot. Bonds4

About 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 5101270) has the molecular formula C18H18F4N4O and a molecular weight of 382.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID5101270
Molecular FormulaC18H18F4N4O
Molecular Weight382.36 g/mol
Exact Mass382.14
IUPAC Name5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2n(n1)C(C(F)(F)F)CC(C1CC1)N2
InChIInChI=1S/C18H18F4N4O/c19-12-5-1-10(2-6-12)9-23-17(27)14-8-16-24-13(11-3-4-11)7-15(18(20,21)22)26(16)25-14/h1-2,5-6,8,11,13,15,24H,3-4,7,9H2,(H,23,27)
InChIKeyIHQXUNFQJANBGX-UHFFFAOYSA-N
XLogP3.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 5101270) is 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cc2n(n1)C(C(F)(F)F)CC(C1CC1)N2.
What is the InChIKey of 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IHQXUNFQJANBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O/c19-12-5-1-10(2-6-12)9-23-17(27)14-8-16-24-13(11-3-4-11)7-15(18(20,21)22)26(16)25-14/h1-2,5-6,8,11,13,15,24H,3-4,7,9H2,(H,23,27).
What are the key properties of 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 382.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 5101270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).