4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline

C18H19N3 — CID 43226671

IUPAC4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
SMILESCCc1ccc(NCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C18H19N3/c1-2-15-4-8-17(9-5-15)19-14-16-6-10-18(11-7-16)21-13-3-12-20-21/h3-13,19H,2,14H2,1H3
InChIKeyXSCSRNZIVXYEMB-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.05
Rot. Bonds5

About 4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline

4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline (PubChem CID 43226671) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
PubChem CID43226671
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
SMILESCCc1ccc(NCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C18H19N3/c1-2-15-4-8-17(9-5-15)19-14-16-6-10-18(11-7-16)21-13-3-12-20-21/h3-13,19H,2,14H2,1H3
InChIKeyXSCSRNZIVXYEMB-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 63645199
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 66412112
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688239
N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 62134405
3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160
N-(2-methylpentyl)-4-pyrazol-1-ylaniline
CID 43688134
1-(4-methylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea
CID 17283784
5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
CID 72884289
2-bromo-5-fluoro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 107632988
2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43230038
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739916

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
The IUPAC name of 4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline (CID 43226671) is 4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline.
What is the SMILES notation for 4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
The canonical SMILES for 4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline is CCc1ccc(NCc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
The InChIKey is XSCSRNZIVXYEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-15-4-8-17(9-5-15)19-14-16-6-10-18(11-7-16)21-13-3-12-20-21/h3-13,19H,2,14H2,1H3.
What are the key properties of 4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline?
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline has a molecular weight of 277.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 43226671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).