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

C23H27F3N4O2 — CID 136736956

IUPAC(5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H27F3N4O2/c1-29(22-10-13-5-14(11-22)7-15(6-13)12-22)21(31)17-9-20-27-16(18-3-2-4-32-18)8-19(23(24,25)26)30(20)28-17/h2-4,9,13-16,19,27H,5-8,10-12H2,1H3/t13?,14?,15?,16-,19-,22?/m1/s1
InChIKeyNWCXUSQITRHCNT-NHDLTIKGSA-N
MW448.49 g/mol
LogP5.18
Rot. Bonds3

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

(5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 136736956) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is (5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID136736956
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC Name(5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H27F3N4O2/c1-29(22-10-13-5-14(11-22)7-15(6-13)12-22)21(31)17-9-20-27-16(18-3-2-4-32-18)8-19(23(24,25)26)30(20)28-17/h2-4,9,13-16,19,27H,5-8,10-12H2,1H3/t13?,14?,15?,16-,19-,22?/m1/s1
InChIKeyNWCXUSQITRHCNT-NHDLTIKGSA-N
XLogP5.18
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,7S)-N-(1-adamantylmethyl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135890390
5-(furan-2-yl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133736
(5R,7R)-5-(furan-2-yl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 822214
[(5S,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-thiomorpholin-4-ylmethanone
CID 1165287
(5S,7R)-5-(furan-2-yl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135814189
N-butyl-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148192
[(5R,7S)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 1165105
[5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
CID 3148188
[(2R,5S)-2,5-dimethylpiperidin-1-yl]-[(5R,7S)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135768331
(5R,7R)-N-[(2R)-butan-2-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135677944
(5R,7R)-5-(furan-2-yl)-N-[(2R)-1-methoxypropan-2-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135814194
N-[4-(diethylamino)phenyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148245

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 136736956) is (5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is CN(C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NWCXUSQITRHCNT-NHDLTIKGSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c1-29(22-10-13-5-14(11-22)7-15(6-13)12-22)21(31)17-9-20-27-16(18-3-2-4-32-18)8-19(23(24,25)26)30(20)28-17/h2-4,9,13-16,19,27H,5-8,10-12H2,1H3/t13?,14?,15?,16-,19-,22?/m1/s1.
What are the key properties of (5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
(5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-N-(1-adamantyl)-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136736956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).