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

C10H11N3 — CID 13303427

IUPAC5-(4-methylphenyl)-1H-pyrazol-4-amine
SMILESCc1ccc(-c2[nH]ncc2N)cc1
InChIInChI=1S/C10H11N3/c1-7-2-4-8(5-3-7)10-9(11)6-12-13-10/h2-6H,11H2,1H3,(H,12,13)
InChIKeyWQHCOAVWNAPALA-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.97
Rot. Bonds1

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

5-(4-methylphenyl)-1H-pyrazol-4-amine (PubChem CID 13303427) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-1H-pyrazol-4-amine
PubChem CID13303427
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name5-(4-methylphenyl)-1H-pyrazol-4-amine
SMILESCc1ccc(-c2[nH]ncc2N)cc1
InChIInChI=1S/C10H11N3/c1-7-2-4-8(5-3-7)10-9(11)6-12-13-10/h2-6H,11H2,1H3,(H,12,13)
InChIKeyWQHCOAVWNAPALA-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 5-(4-methylphenyl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(4-methylphenyl)-1H-pyrazol-4-amine (CID 13303427) is 5-(4-methylphenyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(4-methylphenyl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(4-methylphenyl)-1H-pyrazol-4-amine is Cc1ccc(-c2[nH]ncc2N)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1H-pyrazol-4-amine?
The InChIKey is WQHCOAVWNAPALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7-2-4-8(5-3-7)10-9(11)6-12-13-10/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 5-(4-methylphenyl)-1H-pyrazol-4-amine?
5-(4-methylphenyl)-1H-pyrazol-4-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 5-(4-methylphenyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 13303427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).