3,5-dimethyl-1-phenylpyrazol-4-amine

C11H13N3 — CID 7037010

IUPAC3,5-dimethyl-1-phenylpyrazol-4-amine
SMILESCc1nn(-c2ccccc2)c(C)c1N
InChIInChI=1S/C11H13N3/c1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,12H2,1-2H3
InChIKeyFDTJXJNAWWVIKC-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.07
Rot. Bonds1

About 3,5-dimethyl-1-phenylpyrazol-4-amine

3,5-dimethyl-1-phenylpyrazol-4-amine (PubChem CID 7037010) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenylpyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-phenylpyrazol-4-amine
PubChem CID7037010
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name3,5-dimethyl-1-phenylpyrazol-4-amine
SMILESCc1nn(-c2ccccc2)c(C)c1N
InChIInChI=1S/C11H13N3/c1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,12H2,1-2H3
InChIKeyFDTJXJNAWWVIKC-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenylpyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-phenylpyrazol-4-amine (CID 7037010) is 3,5-dimethyl-1-phenylpyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-phenylpyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-phenylpyrazol-4-amine is Cc1nn(-c2ccccc2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-phenylpyrazol-4-amine?
The InChIKey is FDTJXJNAWWVIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-11(12)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,12H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-phenylpyrazol-4-amine?
3,5-dimethyl-1-phenylpyrazol-4-amine has a molecular weight of 187.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenylpyrazol-4-amine is sourced from PubChem (CID 7037010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).