5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol

C12H23N3O — CID 107316767

IUPAC5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
SMILESCCCn1nccc1CNCCCCCO
InChIInChI=1S/C12H23N3O/c1-2-9-15-12(6-8-14-15)11-13-7-4-3-5-10-16/h6,8,13,16H,2-5,7,9-11H2,1H3
InChIKeyOADDKTBBUXRVMO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.55
Rot. Bonds9

About 5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol

5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol (PubChem CID 107316767) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
PubChem CID107316767
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
SMILESCCCn1nccc1CNCCCCCO
InChIInChI=1S/C12H23N3O/c1-2-9-15-12(6-8-14-15)11-13-7-4-3-5-10-16/h6,8,13,16H,2-5,7,9-11H2,1H3
InChIKeyOADDKTBBUXRVMO-UHFFFAOYSA-N
XLogP1.55
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(2-propylpyrazol-3-yl)methylamino]pentan-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-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
CID 114130077
4-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114556165
4,4,4-trifluoro-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114555990
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 114555939
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
2-methyl-N-[(2-propylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615846
4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106841860
(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 104939501
N-[(2-ethylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923234

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
The IUPAC name of 5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol (CID 107316767) is 5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
The canonical SMILES for 5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol is CCCn1nccc1CNCCCCCO.
What is the InChIKey of 5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
The InChIKey is OADDKTBBUXRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-9-15-12(6-8-14-15)11-13-7-4-3-5-10-16/h6,8,13,16H,2-5,7,9-11H2,1H3.
What are the key properties of 5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 107316767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).