2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol

C9H17N3O — CID 115922691

IUPAC2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
SMILESCCC(C)Nc1cnn(CCO)c1
InChIInChI=1S/C9H17N3O/c1-3-8(2)11-9-6-10-12(7-9)4-5-13/h6-8,11,13H,3-5H2,1-2H3
InChIKeySMDIPLKUFIBKBZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.09
Rot. Bonds5

About 2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol

2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol (PubChem CID 115922691) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
PubChem CID115922691
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
SMILESCCC(C)Nc1cnn(CCO)c1
InChIInChI=1S/C9H17N3O/c1-3-8(2)11-9-6-10-12(7-9)4-5-13/h6-8,11,13H,3-5H2,1-2H3
InChIKeySMDIPLKUFIBKBZ-UHFFFAOYSA-N
XLogP1.09
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-2-yl-1-propylpyrazol-4-amine
CID 115921377
2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride
CID 126964216
ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
CID 171834591
2-(4-butan-2-ylpyrazol-1-yl)ethanol
CID 146424198
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine
CID 97309859
N-(1-cyclopropylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921375
2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol
CID 110011576
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338512
1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085
N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921376
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
CID 43729075

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol (CID 115922691) is 2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol is CCC(C)Nc1cnn(CCO)c1.
What is the InChIKey of 2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol?
The InChIKey is SMDIPLKUFIBKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-8(2)11-9-6-10-12(7-9)4-5-13/h6-8,11,13H,3-5H2,1-2H3.
What are the key properties of 2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol?
2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol has a molecular weight of 183.25 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol is sourced from PubChem (CID 115922691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).