(2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C17H14ClF4N3O — CID 154636071

IUPAC(2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESC[C@@H](O)Cn1ncc(-c2cc(-c3c(F)cccc3Cl)c[nH]2)c1C(F)(F)F
InChIInChI=1S/C17H14ClF4N3O/c1-9(26)8-25-16(17(20,21)22)11(7-24-25)14-5-10(6-23-14)15-12(18)3-2-4-13(15)19/h2-7,9,23,26H,8H2,1H3/t9-/m1/s1
InChIKeySCDVNBCTOQGELR-SECBINFHSA-N
MW387.76 g/mol
LogP4.74
Rot. Bonds4

About (2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

(2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 154636071) has the molecular formula C17H14ClF4N3O and a molecular weight of 387.76 g/mol. Its IUPAC name is (2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID154636071
Molecular FormulaC17H14ClF4N3O
Molecular Weight387.76 g/mol
Exact Mass387.08
IUPAC Name(2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESC[C@@H](O)Cn1ncc(-c2cc(-c3c(F)cccc3Cl)c[nH]2)c1C(F)(F)F
InChIInChI=1S/C17H14ClF4N3O/c1-9(26)8-25-16(17(20,21)22)11(7-24-25)14-5-10(6-23-14)15-12(18)3-2-4-13(15)19/h2-7,9,23,26H,8H2,1H3/t9-/m1/s1
InChIKeySCDVNBCTOQGELR-SECBINFHSA-N
XLogP4.74
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.76
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-({[1-Phenyl-3-(2-chlorophenyl)-4-pyrazolyl]-methyl}amino)ethanol
CID 16342011
1-({[3-(2-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}amino)-2-butanol
CID 45212002
1-[1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-4-(1H-pyrrol-3-yl)pyrazole
CID 141189283
1-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1H-pyrrol-3-yl)pyrazole
CID 141189299
3-[4-[4-(2-chloro-6-fluorophenyl)-3-pyrazin-2-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutan-1-ol
CID 154636050
3-[4-[3-(bromomethyl)-4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-methylpyrazol-1-yl]-1-methylcyclobutan-1-ol
CID 154636067
3-[4-[3-(bromomethyl)-4-(2-chlorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutan-1-ol
CID 154636083
4-[4-[3-(bromomethyl)-4-(2-chlorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]-2-methylbutan-2-ol
CID 154636091
(2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-3-(cyclopropyloxymethyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 154636093
3-[4-[4-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1,1,1-trifluoropropan-2-ol
CID 154636097
4-[4-[3-(bromomethyl)-4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-methylpyrazol-1-yl]-2-methylbutan-2-ol
CID 154636109
3-[4-[4-(2-chlorophenyl)-3-pyrazin-2-yl-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]-1-methylcyclobutan-1-ol
CID 154636112

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 154636071) is (2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is C[C@@H](O)Cn1ncc(-c2cc(-c3c(F)cccc3Cl)c[nH]2)c1C(F)(F)F.
What is the InChIKey of (2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is SCDVNBCTOQGELR-SECBINFHSA-N. The full InChI is InChI=1S/C17H14ClF4N3O/c1-9(26)8-25-16(17(20,21)22)11(7-24-25)14-5-10(6-23-14)15-12(18)3-2-4-13(15)19/h2-7,9,23,26H,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
(2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 387.76 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[4-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 154636071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).