(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine

C12H20N4 — CID 167220167

IUPAC(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine
SMILESC/C(=C\N)c1cnn(C2CCN(C)CC2)c1
InChIInChI=1S/C12H20N4/c1-10(7-13)11-8-14-16(9-11)12-3-5-15(2)6-4-12/h7-9,12H,3-6,13H2,1-2H3/b10-7+
InChIKeyFVZARZGDMOPQCG-JXMROGBWSA-N
MW220.32 g/mol
LogP1.47
Rot. Bonds2

About (E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine

(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine (PubChem CID 167220167) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine
PubChem CID167220167
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine
SMILESC/C(=C\N)c1cnn(C2CCN(C)CC2)c1
InChIInChI=1S/C12H20N4/c1-10(7-13)11-8-14-16(9-11)12-3-5-15(2)6-4-12/h7-9,12H,3-6,13H2,1-2H3/b10-7+
InChIKeyFVZARZGDMOPQCG-JXMROGBWSA-N
XLogP1.47
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine?
The IUPAC name of (E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine (CID 167220167) is (E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine.
What is the SMILES notation for (E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine?
The canonical SMILES for (E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine is C/C(=C\N)c1cnn(C2CCN(C)CC2)c1.
What is the InChIKey of (E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine?
The InChIKey is FVZARZGDMOPQCG-JXMROGBWSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(7-13)11-8-14-16(9-11)12-3-5-15(2)6-4-12/h7-9,12H,3-6,13H2,1-2H3/b10-7+.
What are the key properties of (E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine?
(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]prop-1-en-1-amine is sourced from PubChem (CID 167220167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).