N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine

C11H13N3 — CID 54595204

IUPACN-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCNc1cc(-c2ccccc2C)[nH]n1
InChIInChI=1S/C11H13N3/c1-8-5-3-4-6-9(8)10-7-11(12-2)14-13-10/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyFHNLUZQQVKTZAM-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.43
Rot. Bonds2

About N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine

N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 54595204) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine
PubChem CID54595204
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCNc1cc(-c2ccccc2C)[nH]n1
InChIInChI=1S/C11H13N3/c1-8-5-3-4-6-9(8)10-7-11(12-2)14-13-10/h3-7H,1-2H3,(H2,12,13,14)
InChIKeyFHNLUZQQVKTZAM-UHFFFAOYSA-N
XLogP2.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine (CID 54595204) is N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine is CNc1cc(-c2ccccc2C)[nH]n1.
What is the InChIKey of N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is FHNLUZQQVKTZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-5-3-4-6-9(8)10-7-11(12-2)14-13-10/h3-7H,1-2H3,(H2,12,13,14).
What are the key properties of N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine?
N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 187.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 54595204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).