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

C17H18ClF3N4O2S — CID 1126897

IUPAC(5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F
InChIInChI=1S/C17H18ClF3N4O2S/c18-13-14(16(26)22-8-9-3-1-5-27-9)24-25-12(17(19,20)21)7-10(23-15(13)25)11-4-2-6-28-11/h2,4,6,9-10,12,23H,1,3,5,7-8H2,(H,22,26)/t9-,10-,12-/m0/s1
InChIKeyTZVMGQHYKZQKII-NHCYSSNCSA-N
MW434.87 g/mol
LogP4.17
Rot. Bonds4

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

(5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1126897) has the molecular formula C17H18ClF3N4O2S and a molecular weight of 434.87 g/mol. Its IUPAC name is (5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1126897
Molecular FormulaC17H18ClF3N4O2S
Molecular Weight434.87 g/mol
Exact Mass434.08
IUPAC Name(5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F
InChIInChI=1S/C17H18ClF3N4O2S/c18-13-14(16(26)22-8-9-3-1-5-27-9)24-25-12(17(19,20)21)7-10(23-15(13)25)11-4-2-6-28-11/h2,4,6,9-10,12,23H,1,3,5,7-8H2,(H,22,26)/t9-,10-,12-/m0/s1
InChIKeyTZVMGQHYKZQKII-NHCYSSNCSA-N
XLogP4.17
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

(5S,7R)-3-chloro-N-(2-ethylphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1012738
(5S,7S)-3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1013073
(5S,7S)-3-chloro-N-(3-chloro-4-fluorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1012958
[(5R,7R)-3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 1368728
(5S,7S)-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 137027583
(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
(5R,7S)-3-bromo-N-(2-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1126786
(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
(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
5-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4309298
(5S,7S)-3-bromo-N-naphthalen-1-yl-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1126752
3-chloro-N-(oxolan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2860394

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1126897) is (5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F.
What is the InChIKey of (5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is TZVMGQHYKZQKII-NHCYSSNCSA-N. The full InChI is InChI=1S/C17H18ClF3N4O2S/c18-13-14(16(26)22-8-9-3-1-5-27-9)24-25-12(17(19,20)21)7-10(23-15(13)25)11-4-2-6-28-11/h2,4,6,9-10,12,23H,1,3,5,7-8H2,(H,22,26)/t9-,10-,12-/m0/s1.
What are the key properties of (5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
(5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 434.87 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-3-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1126897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).