[4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol

C19H18F3N3O2 — CID 156777511

IUPAC[4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol
SMILESCn1nc(-c2ccc(CO)cc2)cc1NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O2/c1-25-18(10-17(24-25)15-6-2-14(12-26)3-7-15)23-11-13-4-8-16(9-5-13)27-19(20,21)22/h2-10,23,26H,11-12H2,1H3
InChIKeyQZZCFWNHWNHKRK-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.09
Rot. Bonds6

About [4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol

[4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol (PubChem CID 156777511) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is [4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol
PubChem CID156777511
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name[4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol
SMILESCn1nc(-c2ccc(CO)cc2)cc1NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O2/c1-25-18(10-17(24-25)15-6-2-14(12-26)3-7-15)23-11-13-4-8-16(9-5-13)27-19(20,21)22/h2-10,23,26H,11-12H2,1H3
InChIKeyQZZCFWNHWNHKRK-UHFFFAOYSA-N
XLogP4.09
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol
CID 116628785
[1-methyl-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]methanol
CID 122424190
1-methyl-3-propyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 70742885
N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 66478855
N-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 141113146
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
N-[(4-tert-butylphenyl)methyl]-4-chloro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 59820837
N-[(4-tert-butylphenyl)methyl]-4-chloro-2-[4-(trifluoromethoxy)phenyl]aniline
CID 59820940
4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine
CID 83008958
3-bromo-4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 63463129
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
5-bromo-N-[(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine
CID 158482333

Frequently Asked Questions

What is the IUPAC name of [4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol?
The IUPAC name of [4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol (CID 156777511) is [4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol?
The canonical SMILES for [4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol is Cn1nc(-c2ccc(CO)cc2)cc1NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol?
The InChIKey is QZZCFWNHWNHKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-25-18(10-17(24-25)15-6-2-14(12-26)3-7-15)23-11-13-4-8-16(9-5-13)27-19(20,21)22/h2-10,23,26H,11-12H2,1H3.
What are the key properties of [4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol?
[4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol has a molecular weight of 377.37 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol is sourced from PubChem (CID 156777511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).