N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine

C13H17N3 — CID 116817637

IUPACN,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine
SMILESCc1ccccc1-n1nc(N(C)C)cc1C
InChIInChI=1S/C13H17N3/c1-10-7-5-6-8-12(10)16-11(2)9-13(14-16)15(3)4/h5-9H,1-4H3
InChIKeyPLCUMDSWOSGDEX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.56
Rot. Bonds2

About N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine

N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine (PubChem CID 116817637) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine
PubChem CID116817637
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine
SMILESCc1ccccc1-n1nc(N(C)C)cc1C
InChIInChI=1S/C13H17N3/c1-10-7-5-6-8-12(10)16-11(2)9-13(14-16)15(3)4/h5-9H,1-4H3
InChIKeyPLCUMDSWOSGDEX-UHFFFAOYSA-N
XLogP2.56
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N-dimethyl-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 83864038
3-bromo-5-methyl-1-(2-methylphenyl)pyrazole
CID 59022551
1-(4-bromophenyl)-N,N,5-trimethylpyrazol-3-amine
CID 116817659
3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one
CID 82419602
3-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]propanoic acid
CID 82159419
[1-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
CID 116818504
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
3-chloro-1-(2-chlorophenyl)-5-methylpyrazole
CID 59022592
3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole
CID 140582477
1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 134846974
bis[2-(3,5-dimethylpyrazol-1-yl)phenyl]diazene
CID 12718144
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine?
The IUPAC name of N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine (CID 116817637) is N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine.
What is the SMILES notation for N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine?
The canonical SMILES for N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine is Cc1ccccc1-n1nc(N(C)C)cc1C.
What is the InChIKey of N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine?
The InChIKey is PLCUMDSWOSGDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-7-5-6-8-12(10)16-11(2)9-13(14-16)15(3)4/h5-9H,1-4H3.
What are the key properties of N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine?
N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine has a molecular weight of 215.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-1-(2-methylphenyl)pyrazol-3-amine is sourced from PubChem (CID 116817637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).