[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine

C12H15N3 — CID 60873665

IUPAC[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine
SMILESCc1cnn(Cc2cccc(CN)c2)c1
InChIInChI=1S/C12H15N3/c1-10-7-14-15(8-10)9-12-4-2-3-11(5-12)6-13/h2-5,7-8H,6,9,13H2,1H3
InChIKeyACSKALDROAGVDL-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.70
Rot. Bonds3

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

[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine (PubChem CID 60873665) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine
PubChem CID60873665
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine
SMILESCc1cnn(Cc2cccc(CN)c2)c1
InChIInChI=1S/C12H15N3/c1-10-7-14-15(8-10)9-12-4-2-3-11(5-12)6-13/h2-5,7-8H,6,9,13H2,1H3
InChIKeyACSKALDROAGVDL-UHFFFAOYSA-N
XLogP1.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 54970007
1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole
CID 166251290
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
2-bromo-5-[(4-methylpyrazol-1-yl)methyl]aniline
CID 115557328
[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 62730723
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62729897
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526559
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727631
3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 87042762
1-[(3-methylphenyl)methyl]-4-nitropyrazole
CID 4581447

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine (CID 60873665) is [3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine is Cc1cnn(Cc2cccc(CN)c2)c1.
What is the InChIKey of [3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is ACSKALDROAGVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-7-14-15(8-10)9-12-4-2-3-11(5-12)6-13/h2-5,7-8H,6,9,13H2,1H3.
What are the key properties of [3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine?
[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 60873665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).