(4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine

C17H25N5 — CID 167233554

IUPAC(4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine
SMILESC=C(C)Nc1nc(=C(/C)CC)/c(=C(\CC)c2cnn(C)c2)[nH]1
InChIInChI=1S/C17H25N5/c1-7-12(5)15-16(21-17(20-15)19-11(3)4)14(8-2)13-9-18-22(6)10-13/h9-10H,3,7-8H2,1-2,4-6H3,(H2,19,20,21)/b15-12-,16-14-
InChIKeyBOEZNJLRIXWXHX-SLKWPDKUSA-N
MW299.42 g/mol
LogP2.28
Rot. Bonds5

About (4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine

(4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine (PubChem CID 167233554) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is (4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine.

Molecular Properties

Compound Name(4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine
PubChem CID167233554
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name(4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine
SMILESC=C(C)Nc1nc(=C(/C)CC)/c(=C(\CC)c2cnn(C)c2)[nH]1
InChIInChI=1S/C17H25N5/c1-7-12(5)15-16(21-17(20-15)19-11(3)4)14(8-2)13-9-18-22(6)10-13/h9-10H,3,7-8H2,1-2,4-6H3,(H2,19,20,21)/b15-12-,16-14-
InChIKeyBOEZNJLRIXWXHX-SLKWPDKUSA-N
XLogP2.28
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine?
The IUPAC name of (4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine (CID 167233554) is (4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine.
What is the SMILES notation for (4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine?
The canonical SMILES for (4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine is C=C(C)Nc1nc(=C(/C)CC)/c(=C(\CC)c2cnn(C)c2)[nH]1.
What is the InChIKey of (4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine?
The InChIKey is BOEZNJLRIXWXHX-SLKWPDKUSA-N. The full InChI is InChI=1S/C17H25N5/c1-7-12(5)15-16(21-17(20-15)19-11(3)4)14(8-2)13-9-18-22(6)10-13/h9-10H,3,7-8H2,1-2,4-6H3,(H2,19,20,21)/b15-12-,16-14-.
What are the key properties of (4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine?
(4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine has a molecular weight of 299.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-4-butan-2-ylidene-5-[1-(1-methylpyrazol-4-yl)propylidene]-N-prop-1-en-2-yl-1H-imidazol-2-amine is sourced from PubChem (CID 167233554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).