2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

C13H17N3 — CID 60973136

IUPAC2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCc1ccc(C)c(NC(C)c2ccn[nH]2)c1
InChIInChI=1S/C13H17N3/c1-9-4-5-10(2)13(8-9)15-11(3)12-6-7-14-16-12/h4-8,11,15H,1-3H3,(H,14,16)
InChIKeyRUGTZKIJYLJIKG-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.20
Rot. Bonds3

About 2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (PubChem CID 60973136) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
PubChem CID60973136
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCc1ccc(C)c(NC(C)c2ccn[nH]2)c1
InChIInChI=1S/C13H17N3/c1-9-4-5-10(2)13(8-9)15-11(3)12-6-7-14-16-12/h4-8,11,15H,1-3H3,(H,14,16)
InChIKeyRUGTZKIJYLJIKG-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

5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60971531
2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60972786
3-iodo-4-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972545
3-fluoro-5-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 79055182
(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549
(2,5-dimethylphenyl)-(1H-pyrazol-5-yl)methanol
CID 114987801
5-bromo-2-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54968251
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988089
3-fluoro-4-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile
CID 54881919
4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 81291827
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43196557

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (CID 60973136) is 2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is Cc1ccc(C)c(NC(C)c2ccn[nH]2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The InChIKey is RUGTZKIJYLJIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-4-5-10(2)13(8-9)15-11(3)12-6-7-14-16-12/h4-8,11,15H,1-3H3,(H,14,16).
What are the key properties of 2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
2,5-dimethyl-N-[1-(1H-pyrazol-5-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 2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 60973136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).