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

C10H11N3 — CID 4737234

IUPAC4-(4-methylphenyl)-1H-pyrazol-5-amine
SMILESCc1ccc(-c2cn[nH]c2N)cc1
InChIInChI=1S/C10H11N3/c1-7-2-4-8(5-3-7)9-6-12-13-10(9)11/h2-6H,1H3,(H3,11,12,13)
InChIKeyVNDBRCBZFIAMRE-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.97
Rot. Bonds1

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

4-(4-methylphenyl)-1H-pyrazol-5-amine (PubChem CID 4737234) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1H-pyrazol-5-amine
PubChem CID4737234
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-(4-methylphenyl)-1H-pyrazol-5-amine
SMILESCc1ccc(-c2cn[nH]c2N)cc1
InChIInChI=1S/C10H11N3/c1-7-2-4-8(5-3-7)9-6-12-13-10(9)11/h2-6H,1H3,(H3,11,12,13)
InChIKeyVNDBRCBZFIAMRE-UHFFFAOYSA-N
XLogP1.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-methylphenyl)-1H-pyrazol-5-amine (CID 4737234) is 4-(4-methylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-methylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-methylphenyl)-1H-pyrazol-5-amine is Cc1ccc(-c2cn[nH]c2N)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1H-pyrazol-5-amine?
The InChIKey is VNDBRCBZFIAMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7-2-4-8(5-3-7)9-6-12-13-10(9)11/h2-6H,1H3,(H3,11,12,13).
What are the key properties of 4-(4-methylphenyl)-1H-pyrazol-5-amine?
4-(4-methylphenyl)-1H-pyrazol-5-amine has a molecular weight of 173.22 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 4737234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).