1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine

C13H17N3 — CID 43209034

IUPAC1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
SMILESCc1cccc(-n2ncc(C(C)N)c2C)c1
InChIInChI=1S/C13H17N3/c1-9-5-4-6-12(7-9)16-11(3)13(8-15-16)10(2)14/h4-8,10H,14H2,1-3H3
InChIKeyZQGCMDFZCKFZHL-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.51
Rot. Bonds2

About 1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine

1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine (PubChem CID 43209034) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
PubChem CID43209034
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
SMILESCc1cccc(-n2ncc(C(C)N)c2C)c1
InChIInChI=1S/C13H17N3/c1-9-5-4-6-12(7-9)16-11(3)13(8-15-16)10(2)14/h4-8,10H,14H2,1-3H3
InChIKeyZQGCMDFZCKFZHL-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride
CID 154896679
4-[4-[(1R)-1-aminoethyl]-5-methylpyrazol-1-yl]benzonitrile
CID 93270263
1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 81247880
1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 5200441
1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 43381499
1-[5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]ethanamine
CID 43209037
5-iodo-2-(3-methylphenyl)pyridazin-3-one
CID 24997710
2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119208682
[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82081655
5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole
CID 170030388
(1S)-N-[(2,5-dimethylphenyl)methyl]-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 25299151
1-[5-methyl-1-(2-nitrophenyl)pyrazol-4-yl]ethanamine
CID 43209038

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine (CID 43209034) is 1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine is Cc1cccc(-n2ncc(C(C)N)c2C)c1.
What is the InChIKey of 1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine?
The InChIKey is ZQGCMDFZCKFZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-5-4-6-12(7-9)16-11(3)13(8-15-16)10(2)14/h4-8,10H,14H2,1-3H3.
What are the key properties of 1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine?
1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 43209034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).