3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine

C14H20N4 — CID 112668268

IUPAC3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine
SMILESCCc1nn(C)cc1CNc1cc(N)ccc1C
InChIInChI=1S/C14H20N4/c1-4-13-11(9-18(3)17-13)8-16-14-7-12(15)6-5-10(14)2/h5-7,9,16H,4,8,15H2,1-3H3
InChIKeyKWLCFCIFSIQMEV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.49
Rot. Bonds4

About 3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine

3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine (PubChem CID 112668268) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine
PubChem CID112668268
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine
SMILESCCc1nn(C)cc1CNc1cc(N)ccc1C
InChIInChI=1S/C14H20N4/c1-4-13-11(9-18(3)17-13)8-16-14-7-12(15)6-5-10(14)2/h5-7,9,16H,4,8,15H2,1-3H3
InChIKeyKWLCFCIFSIQMEV-UHFFFAOYSA-N
XLogP2.49
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 112668216
1-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 112668204
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 112668224
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 112668229
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-2-methylaniline
CID 103271245
2,5-dibromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112668885
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol
CID 112669125
6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 104599955
4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 112668861
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine (CID 112668268) is 3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine is CCc1nn(C)cc1CNc1cc(N)ccc1C.
What is the InChIKey of 3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine?
The InChIKey is KWLCFCIFSIQMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-13-11(9-18(3)17-13)8-16-14-7-12(15)6-5-10(14)2/h5-7,9,16H,4,8,15H2,1-3H3.
What are the key properties of 3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine?
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 112668268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).