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

C13H18ClN3O2 — CID 126965409

IUPAC2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
SMILESCOc1ccc(CNc2cnn(CCO)c2)cc1.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-18-13-4-2-11(3-5-13)8-14-12-9-15-16(10-12)6-7-17;/h2-5,9-10,14,17H,6-8H2,1H3;1H
InChIKeyDBDOEOOXZFVDRR-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.92
Rot. Bonds6

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

2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride (PubChem CID 126965409) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
PubChem CID126965409
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
SMILESCOc1ccc(CNc2cnn(CCO)c2)cc1.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-18-13-4-2-11(3-5-13)8-14-12-9-15-16(10-12)6-7-17;/h2-5,9-10,14,17H,6-8H2,1H3;1H
InChIKeyDBDOEOOXZFVDRR-UHFFFAOYSA-N
XLogP1.92
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928974
2-[4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]pyrazol-1-yl]ethanol
CID 110928800
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951
2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 122168607
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110019149
N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
CID 126966280
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745484
2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829597
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]pyrazol-4-amine
CID 43728942
2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride
CID 126964216
1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine
CID 43543347

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride (CID 126965409) is 2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride is COc1ccc(CNc2cnn(CCO)c2)cc1.Cl.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride?
The InChIKey is DBDOEOOXZFVDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c1-18-13-4-2-11(3-5-13)8-14-12-9-15-16(10-12)6-7-17;/h2-5,9-10,14,17H,6-8H2,1H3;1H.
What are the key properties of 2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride?
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 126965409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).