(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine

C18H19N3 — CID 105171096

IUPAC(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine
SMILESCCc1cccc(C(N)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C18H19N3/c1-2-14-7-6-8-15(11-14)18(19)16-12-20-21(13-16)17-9-4-3-5-10-17/h3-13,18H,2,19H2,1H3
InChIKeyPANRDFNZFOGJMO-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.48
Rot. Bonds4

About (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine

(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 105171096) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine
PubChem CID105171096
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine
SMILESCCc1cccc(C(N)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C18H19N3/c1-2-14-7-6-8-15(11-14)18(19)16-12-20-21(13-16)17-9-4-3-5-10-17/h3-13,18H,2,19H2,1H3
InChIKeyPANRDFNZFOGJMO-UHFFFAOYSA-N
XLogP3.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylsulfanylphenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 79212353
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 105120280
(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322500
(1-phenylpyrazol-4-yl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559619
2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105163593
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
4-[1-chloro-2-(3-fluorophenyl)ethyl]-1-phenylpyrazole
CID 61086439
(4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322483
2-(1-methyltriazol-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 107064195
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine (CID 105171096) is (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine is CCc1cccc(C(N)c2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is PANRDFNZFOGJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-14-7-6-8-15(11-14)18(19)16-12-20-21(13-16)17-9-4-3-5-10-17/h3-13,18H,2,19H2,1H3.
What are the key properties of (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine?
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105171096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).