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

C13H17N3O2 — CID 122168607

IUPAC2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol
SMILESCOc1ccc(CNc2ccn(CCO)n2)cc1
InChIInChI=1S/C13H17N3O2/c1-18-12-4-2-11(3-5-12)10-14-13-6-7-16(15-13)8-9-17/h2-7,17H,8-10H2,1H3,(H,14,15)
InChIKeyHERKCXONOSJHRO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.50
Rot. Bonds6

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

2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 122168607) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol
PubChem CID122168607
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol
SMILESCOc1ccc(CNc2ccn(CCO)n2)cc1
InChIInChI=1S/C13H17N3O2/c1-18-12-4-2-11(3-5-12)10-14-13-6-7-16(15-13)8-9-17/h2-7,17H,8-10H2,1H3,(H,14,15)
InChIKeyHERKCXONOSJHRO-UHFFFAOYSA-N
XLogP1.50
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine
CID 122168625
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
3-[[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]methyl]phenol
CID 122168771
2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166769
2-[3-(propylamino)pyrazol-1-yl]ethanol;hydrochloride
CID 126965228
2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol
CID 110924499
2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122167078
tert-butyl N-[(1S)-1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(4-methoxyphenyl)ethyl]carbamate
CID 135255185
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
CID 141210636
2-[[1-(4-methoxyphenyl)pyrazol-3-yl]amino]ethanol
CID 86587981
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol (CID 122168607) is 2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol is COc1ccc(CNc2ccn(CCO)n2)cc1.
What is the InChIKey of 2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is HERKCXONOSJHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-18-12-4-2-11(3-5-12)10-14-13-6-7-16(15-13)8-9-17/h2-7,17H,8-10H2,1H3,(H,14,15).
What are the key properties of 2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol?
2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 122168607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).