(1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol

C19H19F3N4O2 — CID 71097987

IUPAC(1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol
SMILESO[C@H](c1ccc(-n2cccn2)cc1)[C@@H](O)c1ncc(CC2(C(F)(F)F)CC2)[nH]1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)18(6-7-18)10-13-11-23-17(25-13)16(28)15(27)12-2-4-14(5-3-12)26-9-1-8-24-26/h1-5,8-9,11,15-16,27-28H,6-7,10H2,(H,23,25)/t15-,16-/m1/s1
InChIKeyKARNAWUYXYZBDV-HZPDHXFCSA-N
MW392.38 g/mol
LogP3.25
Rot. Bonds6

About (1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol

(1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol (PubChem CID 71097987) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is (1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol
PubChem CID71097987
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name(1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol
SMILESO[C@H](c1ccc(-n2cccn2)cc1)[C@@H](O)c1ncc(CC2(C(F)(F)F)CC2)[nH]1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)18(6-7-18)10-13-11-23-17(25-13)16(28)15(27)12-2-4-14(5-3-12)26-9-1-8-24-26/h1-5,8-9,11,15-16,27-28H,6-7,10H2,(H,23,25)/t15-,16-/m1/s1
InChIKeyKARNAWUYXYZBDV-HZPDHXFCSA-N
XLogP3.25
TPSA86.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol?
The IUPAC name of (1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol (CID 71097987) is (1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol is O[C@H](c1ccc(-n2cccn2)cc1)[C@@H](O)c1ncc(CC2(C(F)(F)F)CC2)[nH]1.
What is the InChIKey of (1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol?
The InChIKey is KARNAWUYXYZBDV-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)18(6-7-18)10-13-11-23-17(25-13)16(28)15(27)12-2-4-14(5-3-12)26-9-1-8-24-26/h1-5,8-9,11,15-16,27-28H,6-7,10H2,(H,23,25)/t15-,16-/m1/s1.
What are the key properties of (1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol?
(1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol has a molecular weight of 392.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-pyrazol-1-ylphenyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]ethane-1,2-diol is sourced from PubChem (CID 71097987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).