3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine

C14H15N3 — CID 54970007

IUPAC3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCc1cnn(Cc2cccc(C#CCN)c2)c1
InChIInChI=1S/C14H15N3/c1-12-9-16-17(10-12)11-14-5-2-4-13(8-14)6-3-7-15/h2,4-5,8-10H,7,11,15H2,1H3
InChIKeyQHYWNMQCXSQCLK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.55
Rot. Bonds2

About 3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine

3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine (PubChem CID 54970007) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine
PubChem CID54970007
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine
SMILESCc1cnn(Cc2cccc(C#CCN)c2)c1
InChIInChI=1S/C14H15N3/c1-12-9-16-17(10-12)11-14-5-2-4-13(8-14)6-3-7-15/h2,4-5,8-10H,7,11,15H2,1H3
InChIKeyQHYWNMQCXSQCLK-UHFFFAOYSA-N
XLogP1.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 54970106
[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine
CID 60873665
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 54983226
3-[3-[(1-methylpyrazol-4-yl)sulfanylmethyl]phenyl]prop-2-yn-1-amine
CID 54969973
1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 7017120
1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole
CID 166251290
3-[(4-ethylpyrazol-1-yl)methyl]benzonitrile
CID 130219655
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114681109
3-[3-[(2-methylmorpholin-4-yl)methyl]phenyl]prop-2-yn-1-amine
CID 54969416
2-bromo-5-[(4-methylpyrazol-1-yl)methyl]aniline
CID 115557328
3-[3-(1,4-oxazepan-4-ylmethyl)phenyl]prop-2-yn-1-amine
CID 62973302
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]pyridin-2-one
CID 54970151

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine (CID 54970007) is 3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine is Cc1cnn(Cc2cccc(C#CCN)c2)c1.
What is the InChIKey of 3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine?
The InChIKey is QHYWNMQCXSQCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-12-9-16-17(10-12)11-14-5-2-4-13(8-14)6-3-7-15/h2,4-5,8-10H,7,11,15H2,1H3.
What are the key properties of 3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine?
3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine has a molecular weight of 225.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 54970007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).