4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol

C18H19N3O — CID 174505000

IUPAC4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol
SMILESCNCC(c1ccc(O)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H19N3O/c1-19-12-18(15-6-8-17(22)9-7-15)14-4-2-13(3-5-14)16-10-20-21-11-16/h2-11,18-19,22H,12H2,1H3,(H,20,21)
InChIKeyVDOMWBYIRXUQAY-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.13
Rot. Bonds5

About 4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol

4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol (PubChem CID 174505000) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol
PubChem CID174505000
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol
SMILESCNCC(c1ccc(O)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H19N3O/c1-19-12-18(15-6-8-17(22)9-7-15)14-4-2-13(3-5-14)16-10-20-21-11-16/h2-11,18-19,22H,12H2,1H3,(H,20,21)
InChIKeyVDOMWBYIRXUQAY-UHFFFAOYSA-N
XLogP3.13
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]carbamate;2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 160807430
2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol
CID 11405111
3-(4-chlorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 71143204
4-[4-(1-phenylethyl)phenyl]-1H-pyrazole
CID 70840207
3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 59446651
(3S)-3-(4-chlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 69129226
benzyl N-[2-(4-bromophenyl)-2-(4-fluorophenyl)ethyl]carbamate;benzyl N-[2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]carbamate
CID 160529948
3-[4-(1H-pyrazol-4-yl)phenyl]-3-thiophen-2-ylpropan-1-amine
CID 59446749
2-[1-[4-(1H-pyrazol-4-yl)phenyl]propyl]pyridine
CID 143373997
3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 11772358
methanamine;4-phenyl-1H-pyrazole
CID 174608925
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol?
The IUPAC name of 4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol (CID 174505000) is 4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol.
What is the SMILES notation for 4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol?
The canonical SMILES for 4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol is CNCC(c1ccc(O)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol?
The InChIKey is VDOMWBYIRXUQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-19-12-18(15-6-8-17(22)9-7-15)14-4-2-13(3-5-14)16-10-20-21-11-16/h2-11,18-19,22H,12H2,1H3,(H,20,21).
What are the key properties of 4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol?
4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol has a molecular weight of 293.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol is sourced from PubChem (CID 174505000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).