2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol

C9H17N3O — CID 103570009

IUPAC2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
SMILESCCC(N)C(O)c1cnn(CC)c1
InChIInChI=1S/C9H17N3O/c1-3-8(10)9(13)7-5-11-12(4-2)6-7/h5-6,8-9,13H,3-4,10H2,1-2H3
InChIKeyRZGHYEHFHHANHL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.67
Rot. Bonds4

About 2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol

2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol (PubChem CID 103570009) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
PubChem CID103570009
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
SMILESCCC(N)C(O)c1cnn(CC)c1
InChIInChI=1S/C9H17N3O/c1-3-8(10)9(13)7-5-11-12(4-2)6-7/h5-6,8-9,13H,3-4,10H2,1-2H3
InChIKeyRZGHYEHFHHANHL-UHFFFAOYSA-N
XLogP0.67
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 63894691
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)propan-1-ol
CID 115779051
2-[(1-ethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 103570644
4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
CID 103570340
4-amino-3-(1-ethylpyrazol-4-yl)pentan-1-ol
CID 103570897
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 103572276
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol
CID 103449416

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol (CID 103570009) is 2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol is CCC(N)C(O)c1cnn(CC)c1.
What is the InChIKey of 2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol?
The InChIKey is RZGHYEHFHHANHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-8(10)9(13)7-5-11-12(4-2)6-7/h5-6,8-9,13H,3-4,10H2,1-2H3.
What are the key properties of 2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol?
2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 103570009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).