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

C21H19F3N4O5 — CID 136690247

IUPAC(5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H](O)c1cc2c(cc1NC(=O)c1cnn3c1N[C@@H](c1ccco1)C[C@@H]3C(F)(F)F)OCO2
InChIInChI=1S/C21H19F3N4O5/c1-10(29)11-5-16-17(33-9-32-16)6-13(11)27-20(30)12-8-25-28-18(21(22,23)24)7-14(26-19(12)28)15-3-2-4-31-15/h2-6,8,10,14,18,26,29H,7,9H2,1H3,(H,27,30)/t10-,14+,18+/m0/s1
InChIKeyPUIFCMSZCUVAIO-DGVXXNCNSA-N
MW464.40 g/mol
LogP4.17
Rot. Bonds4

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

(5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136690247) has the molecular formula C21H19F3N4O5 and a molecular weight of 464.40 g/mol. Its IUPAC name is (5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136690247
Molecular FormulaC21H19F3N4O5
Molecular Weight464.40 g/mol
Exact Mass464.13
IUPAC Name(5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H](O)c1cc2c(cc1NC(=O)c1cnn3c1N[C@@H](c1ccco1)C[C@@H]3C(F)(F)F)OCO2
InChIInChI=1S/C21H19F3N4O5/c1-10(29)11-5-16-17(33-9-32-16)6-13(11)27-20(30)12-8-25-28-18(21(22,23)24)7-14(26-19(12)28)15-3-2-4-31-15/h2-6,8,10,14,18,26,29H,7,9H2,1H3,(H,27,30)/t10-,14+,18+/m0/s1
InChIKeyPUIFCMSZCUVAIO-DGVXXNCNSA-N
XLogP4.17
TPSA110.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

(5R,7R)-5-(3,4-dimethoxyphenyl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136696027
(5R,7R)-N-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136786022
5-(furan-2-yl)-N-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135619777
(5R,7R)-N-(5-bromo-2-hydroxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136792507
(5S,7R)-N-tert-butyl-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136843490
(5R,7R)-N-tert-butyl-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136843491
5-(furan-2-yl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3133842
(5S,7S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136785988
(5S,7R)-N-(4-cyanophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135847315
5-(furan-2-yl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3133851
(5S,7S)-5-(furan-2-yl)-N-[2-[(1R)-1-hydroxyethyl]-4,5-dimethoxyphenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136818078
(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

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of (5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136690247) is (5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for (5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@H](O)c1cc2c(cc1NC(=O)c1cnn3c1N[C@@H](c1ccco1)C[C@@H]3C(F)(F)F)OCO2.
What is the InChIKey of (5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PUIFCMSZCUVAIO-DGVXXNCNSA-N. The full InChI is InChI=1S/C21H19F3N4O5/c1-10(29)11-5-16-17(33-9-32-16)6-13(11)27-20(30)12-8-25-28-18(21(22,23)24)7-14(26-19(12)28)15-3-2-4-31-15/h2-6,8,10,14,18,26,29H,7,9H2,1H3,(H,27,30)/t10-,14+,18+/m0/s1.
What are the key properties of (5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
(5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 464.40 g/mol, XLogP of 4.17, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-5-(furan-2-yl)-N-[6-[(1S)-1-hydroxyethyl]-1,3-benzodioxol-5-yl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136690247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).