N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline

C14H19N3 — CID 19619205

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline
SMILESCCn1ccc(CNc2ccc(C)cc2C)n1
InChIInChI=1S/C14H19N3/c1-4-17-8-7-13(16-17)10-15-14-6-5-11(2)9-12(14)3/h5-9,15H,4,10H2,1-3H3
InChIKeyZGQRUQLFMVHPCW-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.13
Rot. Bonds4

About N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline

N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline (PubChem CID 19619205) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline
PubChem CID19619205
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline
SMILESCCn1ccc(CNc2ccc(C)cc2C)n1
InChIInChI=1S/C14H19N3/c1-4-17-8-7-13(16-17)10-15-14-6-5-11(2)9-12(14)3/h5-9,15H,4,10H2,1-3H3
InChIKeyZGQRUQLFMVHPCW-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619216
2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800231
N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline
CID 19619230
N-[(1-ethylpyrazol-3-yl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122166579
N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126966462
N-[(1-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126966840
2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline
CID 19626016
N-[(1-ethylpyrazol-3-yl)methyl]-1,4-dimethylpyrazol-5-amine
CID 122166580
2,4-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267404
N-[(1-ethylpyrazol-3-yl)methyl]-N'-(3-methyl-4-pyridinyl)ethane-1,2-diamine
CID 131951543
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867128
4-iodo-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 115909524

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline (CID 19619205) is N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline is CCn1ccc(CNc2ccc(C)cc2C)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline?
The InChIKey is ZGQRUQLFMVHPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-17-8-7-13(16-17)10-15-14-6-5-11(2)9-12(14)3/h5-9,15H,4,10H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline?
N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline has a molecular weight of 229.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 19619205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).