1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine

C13H17N3 — CID 4961800

IUPAC1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C13H17N3/c1-10-13(9-14-3)11(2)16(15-10)12-7-5-4-6-8-12/h4-8,14H,9H2,1-3H3
InChIKeyUDAJIVJBHSXIDI-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.21
Rot. Bonds3

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

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 4961800) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine
PubChem CID4961800
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C13H17N3/c1-10-13(9-14-3)11(2)16(15-10)12-7-5-4-6-8-12/h4-8,14H,9H2,1-3H3
InChIKeyUDAJIVJBHSXIDI-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine (CID 4961800) is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine is CNCc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is UDAJIVJBHSXIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-13(9-14-3)11(2)16(15-10)12-7-5-4-6-8-12/h4-8,14H,9H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine?
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 4961800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).