2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol

C19H21N3O2 — CID 110924499

IUPAC2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol
SMILESCOc1ccc(CNc2cc(-c3ccccc3)nn2CCO)cc1
InChIInChI=1S/C19H21N3O2/c1-24-17-9-7-15(8-10-17)14-20-19-13-18(21-22(19)11-12-23)16-5-3-2-4-6-16/h2-10,13,20,23H,11-12,14H2,1H3
InChIKeyWOBBCKBSBIUSNB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.16
Rot. Bonds7

About 2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol

2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol (PubChem CID 110924499) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol
PubChem CID110924499
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol
SMILESCOc1ccc(CNc2cc(-c3ccccc3)nn2CCO)cc1
InChIInChI=1S/C19H21N3O2/c1-24-17-9-7-15(8-10-17)14-20-19-13-18(21-22(19)11-12-23)16-5-3-2-4-6-16/h2-10,13,20,23H,11-12,14H2,1H3
InChIKeyWOBBCKBSBIUSNB-UHFFFAOYSA-N
XLogP3.16
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
CID 110924557
[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone
CID 67450721
2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol
CID 110928756
2-[[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 6487768
2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 122168607
1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 42732916
2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol
CID 75429650
N-[(4-methoxyphenyl)methyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3860137
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazol-3-amine
CID 153410207
2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol
CID 110928739
N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine
CID 25175386

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol (CID 110924499) is 2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol is COc1ccc(CNc2cc(-c3ccccc3)nn2CCO)cc1.
What is the InChIKey of 2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol?
The InChIKey is WOBBCKBSBIUSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-24-17-9-7-15(8-10-17)14-20-19-13-18(21-22(19)11-12-23)16-5-3-2-4-6-16/h2-10,13,20,23H,11-12,14H2,1H3.
What are the key properties of 2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol?
2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol has a molecular weight of 323.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol is sourced from PubChem (CID 110924499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).