2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine

C12H15N3 — CID 63815889

IUPAC2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1cnn(-c2ccc(CCN)cc2)c1
InChIInChI=1S/C12H15N3/c1-10-8-14-15(9-10)12-4-2-11(3-5-12)6-7-13/h2-5,8-9H,6-7,13H2,1H3
InChIKeyROQOSWGAWBCMIF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.68
Rot. Bonds3

About 2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine

2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 63815889) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
PubChem CID63815889
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1cnn(-c2ccc(CCN)cc2)c1
InChIInChI=1S/C12H15N3/c1-10-8-14-15(9-10)12-4-2-11(3-5-12)6-7-13/h2-5,8-9H,6-7,13H2,1H3
InChIKeyROQOSWGAWBCMIF-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 63816251
4-[4-(2-aminoethyl)pyrazol-1-yl]phenol
CID 83881516
2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
CID 82039913
2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine
CID 82285171
2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
CID 82393844
(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 78937565
2-[1-(4-bromo-3-methylphenyl)pyrazol-4-yl]ethanamine
CID 82307239
2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine
CID 60874221
1-(3,4-dimethylphenyl)-4-methylpyrazole
CID 148851288
N-[[4-(4-methylpyrazol-1-yl)phenyl]methyl]pyrazin-2-amine
CID 153384050
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119653973

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine (CID 63815889) is 2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine is Cc1cnn(-c2ccc(CCN)cc2)c1.
What is the InChIKey of 2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is ROQOSWGAWBCMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-8-14-15(9-10)12-4-2-11(3-5-12)6-7-13/h2-5,8-9H,6-7,13H2,1H3.
What are the key properties of 2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine?
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 201.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63815889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).