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

C14H19N3 — CID 175348123

IUPAC[4-(1-butylpyrazol-3-yl)phenyl]methanamine
SMILESCCCCn1ccc(-c2ccc(CN)cc2)n1
InChIInChI=1S/C14H19N3/c1-2-3-9-17-10-8-14(16-17)13-6-4-12(11-15)5-7-13/h4-8,10H,2-3,9,11,15H2,1H3
InChIKeyZWZIVQAAOMZSLX-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.81
Rot. Bonds5

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

[4-(1-butylpyrazol-3-yl)phenyl]methanamine (PubChem CID 175348123) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [4-(1-butylpyrazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1-butylpyrazol-3-yl)phenyl]methanamine
PubChem CID175348123
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[4-(1-butylpyrazol-3-yl)phenyl]methanamine
SMILESCCCCn1ccc(-c2ccc(CN)cc2)n1
InChIInChI=1S/C14H19N3/c1-2-3-9-17-10-8-14(16-17)13-6-4-12(11-15)5-7-13/h4-8,10H,2-3,9,11,15H2,1H3
InChIKeyZWZIVQAAOMZSLX-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
CID 118377536
2,6-bis(1-butylpyrazol-3-yl)pyridine
CID 102040151
[4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine
CID 58495574
2-[3-[4-(chloromethyl)phenyl]pyrazol-1-yl]ethanamine
CID 174664532
3-(3-phenylpyrazol-1-yl)propan-1-amine
CID 57225194
1-ethyl-3-(4-ethylphenyl)pyrazole
CID 70954966
2-[3-(4-chlorophenyl)pyrazol-1-yl]ethanamine
CID 50896468
4-(1-butylpyrazol-3-yl)-2-chlorobenzonitrile
CID 141292745
2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanamine
CID 50896464
3-bromo-1-butylpyrazole
CID 90102192
[4-(2-methyltriazol-4-yl)phenyl]methanamine
CID 130602543
5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid
CID 10945112

Frequently Asked Questions

What is the IUPAC name of [4-(1-butylpyrazol-3-yl)phenyl]methanamine?
The IUPAC name of [4-(1-butylpyrazol-3-yl)phenyl]methanamine (CID 175348123) is [4-(1-butylpyrazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1-butylpyrazol-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(1-butylpyrazol-3-yl)phenyl]methanamine is CCCCn1ccc(-c2ccc(CN)cc2)n1.
What is the InChIKey of [4-(1-butylpyrazol-3-yl)phenyl]methanamine?
The InChIKey is ZWZIVQAAOMZSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-3-9-17-10-8-14(16-17)13-6-4-12(11-15)5-7-13/h4-8,10H,2-3,9,11,15H2,1H3.
What are the key properties of [4-(1-butylpyrazol-3-yl)phenyl]methanamine?
[4-(1-butylpyrazol-3-yl)phenyl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-butylpyrazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 175348123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).