N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine

C14H19N3 — CID 113349771

IUPACN-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cccc(C)c1CNc1cc(C)n(C)n1
InChIInChI=1S/C14H19N3/c1-10-6-5-7-11(2)13(10)9-15-14-8-12(3)17(4)16-14/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyNNHYFRAKNHAMSU-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.96
Rot. Bonds3

About N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine

N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine (PubChem CID 113349771) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine
PubChem CID113349771
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cccc(C)c1CNc1cc(C)n(C)n1
InChIInChI=1S/C14H19N3/c1-10-6-5-7-11(2)13(10)9-15-14-8-12(3)17(4)16-14/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyNNHYFRAKNHAMSU-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

N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115751708
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115751678
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122166863
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol
CID 19627587
2-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-4-methylphenol
CID 113290187
N-(1,3-benzothiazol-2-ylmethyl)-1,5-dimethylpyrazol-3-amine
CID 114253553
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325
N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115876966
N-[(3-amino-4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 114253659
1,5-dimethyl-N-(1,2,5-thiadiazol-3-ylmethyl)pyrazol-3-amine
CID 130961358
1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126967946
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113290173

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine (CID 113349771) is N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine is Cc1cccc(C)c1CNc1cc(C)n(C)n1.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine?
The InChIKey is NNHYFRAKNHAMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-6-5-7-11(2)13(10)9-15-14-8-12(3)17(4)16-14/h5-8H,9H2,1-4H3,(H,15,16).
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine?
N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-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-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 113349771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).