(5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H19F3N4O3 — CID 1127528

IUPAC(5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F
InChIInChI=1S/C17H19F3N4O3/c18-17(19,20)14-7-12(13-4-2-6-27-13)23-15-11(9-22-24(14)15)16(25)21-8-10-3-1-5-26-10/h2,4,6,9-10,12,14,23H,1,3,5,7-8H2,(H,21,25)/t10-,12+,14-/m1/s1
InChIKeyIIDPACVCSGOKGJ-SCDSUCTJSA-N
MW384.36 g/mol
LogP3.05
Rot. Bonds4

About (5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1127528) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is (5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1127528
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name(5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F
InChIInChI=1S/C17H19F3N4O3/c18-17(19,20)14-7-12(13-4-2-6-27-13)23-15-11(9-22-24(14)15)16(25)21-8-10-3-1-5-26-10/h2,4,6,9-10,12,14,23H,1,3,5,7-8H2,(H,21,25)/t10-,12+,14-/m1/s1
InChIKeyIIDPACVCSGOKGJ-SCDSUCTJSA-N
XLogP3.05
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5S,7S)-5-(furan-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135726044
(5R,7S)-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135878976
5-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4309298
(5S,7S)-5-(furan-2-yl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135608624
5-(furan-2-yl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3133842
(5S,7R)-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137027584
(5S,7R)-N-tert-butyl-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136843490
(5S,7S)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136762133
5-(furan-2-yl)-N-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135619777
(5S,7R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135935883
(5S,7R)-N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135847315
(5S,7R)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135936078

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1127528) is (5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC[C@H]1CCCO1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F.
What is the InChIKey of (5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IIDPACVCSGOKGJ-SCDSUCTJSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c18-17(19,20)14-7-12(13-4-2-6-27-13)23-15-11(9-22-24(14)15)16(25)21-8-10-3-1-5-26-10/h2,4,6,9-10,12,14,23H,1,3,5,7-8H2,(H,21,25)/t10-,12+,14-/m1/s1.
What are the key properties of (5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-5-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1127528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).