4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine

C17H22N4 — CID 167215488

IUPAC4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine
SMILESC=C(C)C1=C(/C(C)=C\C)CC(NC(=C)c2cnn(C)c2)=N1
InChIInChI=1S/C17H22N4/c1-7-12(4)15-8-16(20-17(15)11(2)3)19-13(5)14-9-18-21(6)10-14/h7,9-10H,2,5,8H2,1,3-4,6H3,(H,19,20)/b12-7-
InChIKeyVQKAJRPITIGFIU-GHXNOFRVSA-N
MW282.39 g/mol
LogP3.58
Rot. Bonds4

About 4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine

4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine (PubChem CID 167215488) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine
PubChem CID167215488
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine
SMILESC=C(C)C1=C(/C(C)=C\C)CC(NC(=C)c2cnn(C)c2)=N1
InChIInChI=1S/C17H22N4/c1-7-12(4)15-8-16(20-17(15)11(2)3)19-13(5)14-9-18-21(6)10-14/h7,9-10H,2,5,8H2,1,3-4,6H3,(H,19,20)/b12-7-
InChIKeyVQKAJRPITIGFIU-GHXNOFRVSA-N
XLogP3.58
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine (CID 167215488) is 4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine is C=C(C)C1=C(/C(C)=C\C)CC(NC(=C)c2cnn(C)c2)=N1.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine?
The InChIKey is VQKAJRPITIGFIU-GHXNOFRVSA-N. The full InChI is InChI=1S/C17H22N4/c1-7-12(4)15-8-16(20-17(15)11(2)3)19-13(5)14-9-18-21(6)10-14/h7,9-10H,2,5,8H2,1,3-4,6H3,(H,19,20)/b12-7-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine?
4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-N-[1-(1-methylpyrazol-4-yl)ethenyl]-5-prop-1-en-2-yl-3H-pyrrol-2-amine is sourced from PubChem (CID 167215488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).