1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol

C12H23N3O — CID 115703165

IUPAC1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
SMILESCCCn1cc(CNCCC(O)CC)cn1
InChIInChI=1S/C12H23N3O/c1-3-7-15-10-11(9-14-15)8-13-6-5-12(16)4-2/h9-10,12-13,16H,3-8H2,1-2H3
InChIKeyGQRYLDFXSVMJJP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.54
Rot. Bonds8

About 1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol

1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol (PubChem CID 115703165) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol.

Molecular Properties

Compound Name1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
PubChem CID115703165
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
SMILESCCCn1cc(CNCCC(O)CC)cn1
InChIInChI=1S/C12H23N3O/c1-3-7-15-10-11(9-14-15)8-13-6-5-12(16)4-2/h9-10,12-13,16H,3-8H2,1-2H3
InChIKeyGQRYLDFXSVMJJP-UHFFFAOYSA-N
XLogP1.54
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632221
(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115632420
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571643
N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 103673607
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218
N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 103701847
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126968095

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol?
The IUPAC name of 1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol (CID 115703165) is 1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol.
What is the SMILES notation for 1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol?
The canonical SMILES for 1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol is CCCn1cc(CNCCC(O)CC)cn1.
What is the InChIKey of 1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol?
The InChIKey is GQRYLDFXSVMJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-7-15-10-11(9-14-15)8-13-6-5-12(16)4-2/h9-10,12-13,16H,3-8H2,1-2H3.
What are the key properties of 1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol?
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol has a molecular weight of 225.34 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol is sourced from PubChem (CID 115703165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).