4-methyl-1-phenylpyrazol-3-amine

C10H11N3 — CID 12847947

IUPAC4-methyl-1-phenylpyrazol-3-amine
SMILESCc1cn(-c2ccccc2)nc1N
InChIInChI=1S/C10H11N3/c1-8-7-13(12-10(8)11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,11,12)
InChIKeyVKJMGEGMWDCHPA-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.76
Rot. Bonds1

About 4-methyl-1-phenylpyrazol-3-amine

4-methyl-1-phenylpyrazol-3-amine (PubChem CID 12847947) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-methyl-1-phenylpyrazol-3-amine.

Molecular Properties

Compound Name4-methyl-1-phenylpyrazol-3-amine
PubChem CID12847947
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-methyl-1-phenylpyrazol-3-amine
SMILESCc1cn(-c2ccccc2)nc1N
InChIInChI=1S/C10H11N3/c1-8-7-13(12-10(8)11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,11,12)
InChIKeyVKJMGEGMWDCHPA-UHFFFAOYSA-N
XLogP1.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenylpyrazol-3-amine?
The IUPAC name of 4-methyl-1-phenylpyrazol-3-amine (CID 12847947) is 4-methyl-1-phenylpyrazol-3-amine.
What is the SMILES notation for 4-methyl-1-phenylpyrazol-3-amine?
The canonical SMILES for 4-methyl-1-phenylpyrazol-3-amine is Cc1cn(-c2ccccc2)nc1N.
What is the InChIKey of 4-methyl-1-phenylpyrazol-3-amine?
The InChIKey is VKJMGEGMWDCHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8-7-13(12-10(8)11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,11,12).
What are the key properties of 4-methyl-1-phenylpyrazol-3-amine?
4-methyl-1-phenylpyrazol-3-amine has a molecular weight of 173.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenylpyrazol-3-amine is sourced from PubChem (CID 12847947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).