5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H16F3N5O2 — CID 3148221

IUPAC5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)15-8-12(14-2-1-7-28-14)24-16-9-13(25-26(15)16)17(27)23-10-11-3-5-22-6-4-11/h1-7,9,12,15,24H,8,10H2,(H,23,27)
InChIKeyJVQVZXCLPFJHGS-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.46
Rot. Bonds4

About 5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3148221) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3148221
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2
InChIInChI=1S/C18H16F3N5O2/c19-18(20,21)15-8-12(14-2-1-7-28-14)24-16-9-13(25-26(15)16)17(27)23-10-11-3-5-22-6-4-11/h1-7,9,12,15,24H,8,10H2,(H,23,27)
InChIKeyJVQVZXCLPFJHGS-UHFFFAOYSA-N
XLogP3.46
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3148221) is 5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccncc1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2.
What is the InChIKey of 5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JVQVZXCLPFJHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c19-18(20,21)15-8-12(14-2-1-7-28-14)24-16-9-13(25-26(15)16)17(27)23-10-11-3-5-22-6-4-11/h1-7,9,12,15,24H,8,10H2,(H,23,27).
What are the key properties of 5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(pyridin-4-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3148221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).