1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine

C14H19N3 — CID 78950438

IUPAC1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCc2cn[nH]c2)c1
InChIInChI=1S/C14H19N3/c1-10-4-11(2)6-14(5-10)12(3)15-7-13-8-16-17-9-13/h4-6,8-9,12,15H,7H2,1-3H3,(H,16,17)
InChIKeyMATAZANWINFRRA-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.88
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine

1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine (PubChem CID 78950438) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
PubChem CID78950438
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCc2cn[nH]c2)c1
InChIInChI=1S/C14H19N3/c1-10-4-11(2)6-14(5-10)12(3)15-7-13-8-16-17-9-13/h4-6,8-9,12,15H,7H2,1-3H3,(H,16,17)
InChIKeyMATAZANWINFRRA-UHFFFAOYSA-N
XLogP2.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 61000601
1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897141
4-[1-(1H-pyrazol-4-ylmethylamino)ethyl]benzonitrile
CID 54897525
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897283
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 60999677
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
1-(4-methyl-1,3-thiazol-5-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 61000169
(1S)-1-(3,5-dimethylphenyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]ethanamine
CID 99805530
1-(1H-pyrazol-4-yl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 113339143
N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950390
1-(2,6-dichloro-3-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897527

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine (CID 78950438) is 1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine is Cc1cc(C)cc(C(C)NCc2cn[nH]c2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
The InChIKey is MATAZANWINFRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-4-11(2)6-14(5-10)12(3)15-7-13-8-16-17-9-13/h4-6,8-9,12,15H,7H2,1-3H3,(H,16,17).
What are the key properties of 1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine?
1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 78950438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).