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

C11H17N5O — CID 122166587

IUPAC2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCCn1ccc(CNc2ccn(CCO)n2)n1
InChIInChI=1S/C11H17N5O/c1-2-15-5-3-10(13-15)9-12-11-4-6-16(14-11)7-8-17/h3-6,17H,2,7-9H2,1H3,(H,12,14)
InChIKeyWOBCMICEMWTXGL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.70
Rot. Bonds6

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

2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 122166587) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
PubChem CID122166587
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCCn1ccc(CNc2ccn(CCO)n2)n1
InChIInChI=1S/C11H17N5O/c1-2-15-5-3-10(13-15)9-12-11-4-6-16(14-11)7-8-17/h3-6,17H,2,7-9H2,1H3,(H,12,14)
InChIKeyWOBCMICEMWTXGL-UHFFFAOYSA-N
XLogP0.70
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
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-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 122168607
2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122167078
3-[[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]methyl]phenol
CID 122168771
N-[1-(2-hydroxyethyl)pyrazol-3-yl]acetamide
CID 141183209
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
CID 141210636
N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline
CID 19619205
N-[(1-ethylpyrazol-3-yl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122166579
N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126966462
N-[(1-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126966840

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol (CID 122166587) is 2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol is CCn1ccc(CNc2ccn(CCO)n2)n1.
What is the InChIKey of 2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is WOBCMICEMWTXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-15-5-3-10(13-15)9-12-11-4-6-16(14-11)7-8-17/h3-6,17H,2,7-9H2,1H3,(H,12,14).
What are the key properties of 2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol?
2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 235.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 122166587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).