(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine

C15H19N3 — CID 114603326

IUPAC(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2cccc(C3CCC3)c2)cn1
InChIInChI=1S/C15H19N3/c1-18-10-14(9-17-18)15(16)13-7-3-6-12(8-13)11-4-2-5-11/h3,6-11,15H,2,4-5,16H2,1H3
InChIKeyIAEOBDABQRSZIY-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.74
Rot. Bonds3

About (3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine

(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 114603326) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID114603326
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)c2cccc(C3CCC3)c2)cn1
InChIInChI=1S/C15H19N3/c1-18-10-14(9-17-18)15(16)13-7-3-6-12(8-13)11-4-2-5-11/h3,6-11,15H,2,4-5,16H2,1H3
InChIKeyIAEOBDABQRSZIY-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
CID 114602570
(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine
CID 103443956
(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
CID 170919041
(5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine
CID 105053761
(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105053621
(3-cyclobutylphenyl)-(2-ethylphenyl)methanamine
CID 105053789

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine (CID 114603326) is (3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine is Cn1cc(C(N)c2cccc(C3CCC3)c2)cn1.
What is the InChIKey of (3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is IAEOBDABQRSZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18-10-14(9-17-18)15(16)13-7-3-6-12(8-13)11-4-2-5-11/h3,6-11,15H,2,4-5,16H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine?
(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 241.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 114603326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).