3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine

C9H15N3 — CID 169473063

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1c(C)n[nH]c1C
InChIInChI=1S/C9H15N3/c1-7-9(5-4-6-10-3)8(2)12-11-7/h4-5,10H,6H2,1-3H3,(H,11,12)
InChIKeyRHXFJDYKHCRWJI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.26
Rot. Bonds3

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine (PubChem CID 169473063) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine
PubChem CID169473063
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1c(C)n[nH]c1C
InChIInChI=1S/C9H15N3/c1-7-9(5-4-6-10-3)8(2)12-11-7/h4-5,10H,6H2,1-3H3,(H,11,12)
InChIKeyRHXFJDYKHCRWJI-UHFFFAOYSA-N
XLogP1.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine (CID 169473063) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine is CNCC=Cc1c(C)n[nH]c1C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine?
The InChIKey is RHXFJDYKHCRWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-9(5-4-6-10-3)8(2)12-11-7/h4-5,10H,6H2,1-3H3,(H,11,12).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169473063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).