4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

C13H17N3 — CID 106756900

IUPAC4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCc1ccc(NC(C)c2ccnn2C)cc1
InChIInChI=1S/C13H17N3/c1-10-4-6-12(7-5-10)15-11(2)13-8-9-14-16(13)3/h4-9,11,15H,1-3H3
InChIKeyFOLURKXHKKYXOJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.90
Rot. Bonds3

About 4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 106756900) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID106756900
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCc1ccc(NC(C)c2ccnn2C)cc1
InChIInChI=1S/C13H17N3/c1-10-4-6-12(7-5-10)15-11(2)13-8-9-14-16(13)3/h4-9,11,15H,1-3H3
InChIKeyFOLURKXHKKYXOJ-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756876
6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106758003
2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756779
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine
CID 106757117
N-[1-(2-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 106756822
3-chloro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756808
6-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106757206
3-ethynyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756777
3-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-nitroaniline
CID 106758020
6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 114049325
3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756818
2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756879

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (CID 106756900) is 4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is Cc1ccc(NC(C)c2ccnn2C)cc1.
What is the InChIKey of 4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is FOLURKXHKKYXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-4-6-12(7-5-10)15-11(2)13-8-9-14-16(13)3/h4-9,11,15H,1-3H3.
What are the key properties of 4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 215.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 106756900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).