(5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol

C11H10F3N3O — CID 65362208

IUPAC(5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESNc1[nH]ncc1C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)7-3-1-6(2-4-7)9(18)8-5-16-17-10(8)15/h1-5,9,18H,(H3,15,16,17)
InChIKeySVVGHISXAJMNGJ-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.09
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol

(5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 65362208) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID65362208
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name(5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESNc1[nH]ncc1C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3O/c12-11(13,14)7-3-1-6(2-4-7)9(18)8-5-16-17-10(8)15/h1-5,9,18H,(H3,15,16,17)
InChIKeySVVGHISXAJMNGJ-UHFFFAOYSA-N
XLogP2.09
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 79584669
(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 107469372
(2,3-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895919
(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895822
(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 61100365
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol
CID 117359096
[2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol
CID 115911656
(5-amino-1H-pyrazol-4-yl)-(2-methylpyrazol-3-yl)methanol
CID 65362468
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine
CID 78969097
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63426128
(5-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63896012

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol (CID 65362208) is (5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol is Nc1[nH]ncc1C(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is SVVGHISXAJMNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c12-11(13,14)7-3-1-6(2-4-7)9(18)8-5-16-17-10(8)15/h1-5,9,18H,(H3,15,16,17).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
(5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 257.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 65362208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).