3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline

C13H17N3 — CID 115975807

IUPAC3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
SMILESCc1cccc(NC(C)c2cn[nH]c2C)c1
InChIInChI=1S/C13H17N3/c1-9-5-4-6-12(7-9)15-10(2)13-8-14-16-11(13)3/h4-8,10,15H,1-3H3,(H,14,16)
InChIKeyVHBDKGBUYJUGMO-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.20
Rot. Bonds3

About 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline

3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline (PubChem CID 115975807) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
PubChem CID115975807
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
SMILESCc1cccc(NC(C)c2cn[nH]c2C)c1
InChIInChI=1S/C13H17N3/c1-9-5-4-6-12(7-9)15-10(2)13-8-14-16-11(13)3/h4-8,10,15H,1-3H3,(H,14,16)
InChIKeyVHBDKGBUYJUGMO-UHFFFAOYSA-N
XLogP3.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
CID 115975791
2-iodo-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
CID 115976114
N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline
CID 114079472
N-methyl-1-[5-(3-methylphenyl)-1H-pyrazol-4-yl]ethanamine
CID 105469052
3-methyl-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43755615
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641
3-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613155
2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyrazol-3-amine
CID 115975981
N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745402
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43189724
(2R,3R)-3-(3-methylanilino)butan-2-ol
CID 25072640
3-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43207007

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline?
The IUPAC name of 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline (CID 115975807) is 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline.
What is the SMILES notation for 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline?
The canonical SMILES for 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline is Cc1cccc(NC(C)c2cn[nH]c2C)c1.
What is the InChIKey of 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline?
The InChIKey is VHBDKGBUYJUGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-5-4-6-12(7-9)15-10(2)13-8-14-16-11(13)3/h4-8,10,15H,1-3H3,(H,14,16).
What are the key properties of 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline?
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline has a molecular weight of 215.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline is sourced from PubChem (CID 115975807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).