N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine

C13H17N3 — CID 71916690

IUPACN-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine
SMILESCc1cccc(CNc2ccnn2C)c1C
InChIInChI=1S/C13H17N3/c1-10-5-4-6-12(11(10)2)9-14-13-7-8-15-16(13)3/h4-8,14H,9H2,1-3H3
InChIKeySOKHNSXMPKKCSU-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.65
Rot. Bonds3

About N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine

N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine (PubChem CID 71916690) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine
PubChem CID71916690
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine
SMILESCc1cccc(CNc2ccnn2C)c1C
InChIInChI=1S/C13H17N3/c1-10-5-4-6-12(11(10)2)9-14-13-7-8-15-16(13)3/h4-8,14H,9H2,1-3H3
InChIKeySOKHNSXMPKKCSU-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine (CID 71916690) is N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine is Cc1cccc(CNc2ccnn2C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine?
The InChIKey is SOKHNSXMPKKCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-5-4-6-12(11(10)2)9-14-13-7-8-15-16(13)3/h4-8,14H,9H2,1-3H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine?
N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine has a molecular weight of 215.30 g/mol, XLogP of 2.65, 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]-2-methylpyrazol-3-amine is sourced from PubChem (CID 71916690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).