5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine

C13H25N3O — CID 114130077

IUPAC5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
SMILESCCCn1nccc1CNCCCCCOC
InChIInChI=1S/C13H25N3O/c1-3-10-16-13(7-9-15-16)12-14-8-5-4-6-11-17-2/h7,9,14H,3-6,8,10-12H2,1-2H3
InChIKeyCNWXJFQRAUQRBU-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.20
Rot. Bonds10

About 5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine

5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine (PubChem CID 114130077) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
PubChem CID114130077
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
SMILESCCCn1nccc1CNCCCCCOC
InChIInChI=1S/C13H25N3O/c1-3-10-16-13(7-9-15-16)12-14-8-5-4-6-11-17-2/h7,9,14H,3-6,8,10-12H2,1-2H3
InChIKeyCNWXJFQRAUQRBU-UHFFFAOYSA-N
XLogP2.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
4-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114556165
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide
CID 114556095
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
4,4,4-trifluoro-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114555990
N-[(2-ethylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923234
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine
CID 104811769
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113334932

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine?
The IUPAC name of 5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine (CID 114130077) is 5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine?
The canonical SMILES for 5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine is CCCn1nccc1CNCCCCCOC.
What is the InChIKey of 5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine?
The InChIKey is CNWXJFQRAUQRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-10-16-13(7-9-15-16)12-14-8-5-4-6-11-17-2/h7,9,14H,3-6,8,10-12H2,1-2H3.
What are the key properties of 5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine?
5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine is sourced from PubChem (CID 114130077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).