N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine

C14H19N3 — CID 103866854

IUPACN-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1cccc(CNc2cn(C)nc2C)c1C
InChIInChI=1S/C14H19N3/c1-10-6-5-7-13(11(10)2)8-15-14-9-17(4)16-12(14)3/h5-7,9,15H,8H2,1-4H3
InChIKeyUAGWGMQZWGITLN-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.96
Rot. Bonds3

About N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine

N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine (PubChem CID 103866854) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
PubChem CID103866854
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1cccc(CNc2cn(C)nc2C)c1C
InChIInChI=1S/C14H19N3/c1-10-6-5-7-13(11(10)2)8-15-14-9-17(4)16-12(14)3/h5-7,9,15H,8H2,1-4H3
InChIKeyUAGWGMQZWGITLN-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 113351725
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CID 104954462
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
1-(2,3-dimethylphenyl)-3-(1,3-dimethylpyrazol-4-yl)thiourea
CID 19342847
N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 106863330
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline
CID 83092684
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 19627588
1-(2,3-dimethylphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 112550132
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107042771
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489
1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 104954401

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine (CID 103866854) is N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine is Cc1cccc(CNc2cn(C)nc2C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is UAGWGMQZWGITLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-6-5-7-13(11(10)2)8-15-14-9-17(4)16-12(14)3/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 229.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 103866854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).