5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine

C11H13N3 — CID 25219675

IUPAC5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2C)c1
InChIInChI=1S/C11H13N3/c1-7-4-3-5-9(6-7)10-8(2)13-14-11(10)12/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyTWWJNNUSSCINBQ-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.28
Rot. Bonds1

About 5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine

5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 25219675) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
PubChem CID25219675
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2C)c1
InChIInChI=1S/C11H13N3/c1-7-4-3-5-9(6-7)10-8(2)13-14-11(10)12/h3-6H,1-2H3,(H3,12,13,14)
InChIKeyTWWJNNUSSCINBQ-UHFFFAOYSA-N
XLogP2.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine (CID 25219675) is 5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine is Cc1cccc(-c2c(N)n[nH]c2C)c1.
What is the InChIKey of 5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is TWWJNNUSSCINBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-4-3-5-9(6-7)10-8(2)13-14-11(10)12/h3-6H,1-2H3,(H3,12,13,14).
What are the key properties of 5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine?
5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 187.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 25219675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).