2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine

C13H17N3 — CID 82113702

IUPAC2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine
SMILESCCc1ccc(-c2cnn(CCN)c2)cc1
InChIInChI=1S/C13H17N3/c1-2-11-3-5-12(6-4-11)13-9-15-16(10-13)8-7-14/h3-6,9-10H,2,7-8,14H2,1H3
InChIKeyITWBNEIXPGSRCB-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.07
Rot. Bonds4

About 2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine

2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine (PubChem CID 82113702) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine
PubChem CID82113702
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine
SMILESCCc1ccc(-c2cnn(CCN)c2)cc1
InChIInChI=1S/C13H17N3/c1-2-11-3-5-12(6-4-11)13-9-15-16(10-13)8-7-14/h3-6,9-10H,2,7-8,14H2,1H3
InChIKeyITWBNEIXPGSRCB-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1H-pyrazol-4-amine
CID 206694
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
1-Benzyl-1H-pyrazole
CID 3546441
1-(2-phenylethyl)-1H-pyrazole
CID 11126737
Fezolamine
CID 54567
1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine
CID 5200398
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline
CID 22493381
1-methyl-4-phenyl-1H-pyrazol-5-amine
CID 2759980
((1-benzyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7131412
1-Benzyl-4-iodo-1H-pyrazole
CID 3794579
1-Methyl-4-phenyl-1H-pyrazole
CID 13692442
2-[1-(2-Cyano-ethyl)-3-p-tolyl-1H-pyrazol-4-ylmethylene]-malononitrile
CID 3155210

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine (CID 82113702) is 2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine is CCc1ccc(-c2cnn(CCN)c2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine?
The InChIKey is ITWBNEIXPGSRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-11-3-5-12(6-4-11)13-9-15-16(10-13)8-7-14/h3-6,9-10H,2,7-8,14H2,1H3.
What are the key properties of 2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine?
2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 82113702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).