N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine

C18H19N3 — CID 107331089

IUPACN-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-2-19-14-15-8-10-16(11-9-15)18-12-13-20-21(18)17-6-4-3-5-7-17/h3-13,19H,2,14H2,1H3
InChIKeyDGAWTRYAAATSMF-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.65
Rot. Bonds5

About N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine

N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine (PubChem CID 107331089) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine
PubChem CID107331089
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-2-19-14-15-8-10-16(11-9-15)18-12-13-20-21(18)17-6-4-3-5-7-17/h3-13,19H,2,14H2,1H3
InChIKeyDGAWTRYAAATSMF-UHFFFAOYSA-N
XLogP3.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine
CID 107331073
N,N-dimethyl-1-[4-(5-phenylpyrazol-1-yl)phenyl]methanamine
CID 70981887
N-benzylethanamine;tris(yttrium)
CID 158198357
1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine
CID 107331022
2-methyl-4-(2-phenylpyrazol-3-yl)aniline
CID 107331021
N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine
CID 107331059
2-(ethylamino)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107331439
5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol
CID 135923293
1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one
CID 107331042
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466
1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine
CID 167836777
1-[4-fluoro-3-(2-phenylpyrazol-3-yl)phenyl]-N-methylmethanamine
CID 107331058

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine (CID 107331089) is N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2ccnn2-c2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine?
The InChIKey is DGAWTRYAAATSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-19-14-15-8-10-16(11-9-15)18-12-13-20-21(18)17-6-4-3-5-7-17/h3-13,19H,2,14H2,1H3.
What are the key properties of N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine?
N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 107331089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).