3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol

C10H19N3O — CID 78998031

IUPAC3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCCn1cc(CNC(C)CCO)cn1
InChIInChI=1S/C10H19N3O/c1-3-13-8-10(7-12-13)6-11-9(2)4-5-14/h7-9,11,14H,3-6H2,1-2H3
InChIKeyCGUAKXAIFNZTJO-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.76
Rot. Bonds6

About 3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol

3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol (PubChem CID 78998031) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
PubChem CID78998031
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
SMILESCCn1cc(CNC(C)CCO)cn1
InChIInChI=1S/C10H19N3O/c1-3-13-8-10(7-12-13)6-11-9(2)4-5-14/h7-9,11,14H,3-6H2,1-2H3
InChIKeyCGUAKXAIFNZTJO-UHFFFAOYSA-N
XLogP0.76
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1-ethylpyrazol-4-yl)methylamino]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

3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol
CID 106937227
2-[(1-ethylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711495
3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 113244969
3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 81338161
4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
CID 64829211
N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 103569367
1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 19625638
N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65049198
methyl (2S)-2-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanoate
CID 94358808
2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 114130166
(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81378018
2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64831182

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol (CID 78998031) is 3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol is CCn1cc(CNC(C)CCO)cn1.
What is the InChIKey of 3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol?
The InChIKey is CGUAKXAIFNZTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-13-8-10(7-12-13)6-11-9(2)4-5-14/h7-9,11,14H,3-6H2,1-2H3.
What are the key properties of 3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol?
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 78998031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).