4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol

C12H23N3O — CID 114555939

IUPAC4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
SMILESCCCn1nccc1CNC(C)CCCO
InChIInChI=1S/C12H23N3O/c1-3-8-15-12(6-7-14-15)10-13-11(2)5-4-9-16/h6-7,11,13,16H,3-5,8-10H2,1-2H3
InChIKeyVJUBZHOGWKESQO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.54
Rot. Bonds8

About 4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol

4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol (PubChem CID 114555939) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
PubChem CID114555939
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
SMILESCCCn1nccc1CNC(C)CCCO
InChIInChI=1S/C12H23N3O/c1-3-8-15-12(6-7-14-15)10-13-11(2)5-4-9-16/h6-7,11,13,16H,3-5,8-10H2,1-2H3
InChIKeyVJUBZHOGWKESQO-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

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Related Compounds

4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555701
4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555867
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 104939501
4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine
CID 114554873
4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 114151438
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol (CID 114555939) is 4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol is CCCn1nccc1CNC(C)CCCO.
What is the InChIKey of 4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
The InChIKey is VJUBZHOGWKESQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-8-15-12(6-7-14-15)10-13-11(2)5-4-9-16/h6-7,11,13,16H,3-5,8-10H2,1-2H3.
What are the key properties of 4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol?
4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-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 4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 114555939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).