[4-(3-butylpyrazol-1-yl)phenyl]methanamine

C14H19N3 — CID 174492668

IUPAC[4-(3-butylpyrazol-1-yl)phenyl]methanamine
SMILESCCCCc1ccn(-c2ccc(CN)cc2)n1
InChIInChI=1S/C14H19N3/c1-2-3-4-13-9-10-17(16-13)14-7-5-12(11-15)6-8-14/h5-10H,2-4,11,15H2,1H3
InChIKeyXSEDZTDIGVFLHI-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.67
Rot. Bonds5

About [4-(3-butylpyrazol-1-yl)phenyl]methanamine

[4-(3-butylpyrazol-1-yl)phenyl]methanamine (PubChem CID 174492668) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [4-(3-butylpyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-butylpyrazol-1-yl)phenyl]methanamine
PubChem CID174492668
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[4-(3-butylpyrazol-1-yl)phenyl]methanamine
SMILESCCCCc1ccn(-c2ccc(CN)cc2)n1
InChIInChI=1S/C14H19N3/c1-2-3-4-13-9-10-17(16-13)14-7-5-12(11-15)6-8-14/h5-10H,2-4,11,15H2,1H3
InChIKeyXSEDZTDIGVFLHI-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-butylpyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [4-(3-butylpyrazol-1-yl)phenyl]methanamine (CID 174492668) is [4-(3-butylpyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-butylpyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-butylpyrazol-1-yl)phenyl]methanamine is CCCCc1ccn(-c2ccc(CN)cc2)n1.
What is the InChIKey of [4-(3-butylpyrazol-1-yl)phenyl]methanamine?
The InChIKey is XSEDZTDIGVFLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-3-4-13-9-10-17(16-13)14-7-5-12(11-15)6-8-14/h5-10H,2-4,11,15H2,1H3.
What are the key properties of [4-(3-butylpyrazol-1-yl)phenyl]methanamine?
[4-(3-butylpyrazol-1-yl)phenyl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-butylpyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 174492668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).