1-methyl-5-phenylpyrazol-4-amine

C10H11N3 — CID 3021888

IUPAC1-methyl-5-phenylpyrazol-4-amine
SMILESCn1ncc(N)c1-c1ccccc1
InChIInChI=1S/C10H11N3/c1-13-10(9(11)7-12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKeyTXNKCGKRFBAECK-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.67
Rot. Bonds1

About 1-methyl-5-phenylpyrazol-4-amine

1-methyl-5-phenylpyrazol-4-amine (PubChem CID 3021888) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-methyl-5-phenylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-phenylpyrazol-4-amine
PubChem CID3021888
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name1-methyl-5-phenylpyrazol-4-amine
SMILESCn1ncc(N)c1-c1ccccc1
InChIInChI=1S/C10H11N3/c1-13-10(9(11)7-12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKeyTXNKCGKRFBAECK-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenylpyrazol-4-amine?
The IUPAC name of 1-methyl-5-phenylpyrazol-4-amine (CID 3021888) is 1-methyl-5-phenylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-phenylpyrazol-4-amine?
The canonical SMILES for 1-methyl-5-phenylpyrazol-4-amine is Cn1ncc(N)c1-c1ccccc1.
What is the InChIKey of 1-methyl-5-phenylpyrazol-4-amine?
The InChIKey is TXNKCGKRFBAECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-13-10(9(11)7-12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H3.
What are the key properties of 1-methyl-5-phenylpyrazol-4-amine?
1-methyl-5-phenylpyrazol-4-amine has a molecular weight of 173.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenylpyrazol-4-amine is sourced from PubChem (CID 3021888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).