(3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine

C12H15N3 — CID 818484

IUPAC(3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CN
InChIInChI=1S/C12H15N3/c1-9-12(8-13)10(2)15(14-9)11-6-4-3-5-7-11/h3-7H,8,13H2,1-2H3
InChIKeyOBCGZRPPRQGJNF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.95
Rot. Bonds2

About (3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine

(3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine (PubChem CID 818484) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine
PubChem CID818484
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CN
InChIInChI=1S/C12H15N3/c1-9-12(8-13)10(2)15(14-9)11-6-4-3-5-7-11/h3-7H,8,13H2,1-2H3
InChIKeyOBCGZRPPRQGJNF-UHFFFAOYSA-N
XLogP1.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.95
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-yl)methanamine?
The IUPAC name of (3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine (CID 818484) is (3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for (3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine is Cc1nn(-c2ccccc2)c(C)c1CN.
What is the InChIKey of (3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine?
The InChIKey is OBCGZRPPRQGJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-12(8-13)10(2)15(14-9)11-6-4-3-5-7-11/h3-7H,8,13H2,1-2H3.
What are the key properties of (3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine?
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.95, 2 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-yl)methanamine is sourced from PubChem (CID 818484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).