4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole

C12H16N2 — CID 143520603

IUPAC4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole
SMILESC=C/C=C(\C=C/C)Cn1cc(C)cn1
InChIInChI=1S/C12H16N2/c1-4-6-12(7-5-2)10-14-9-11(3)8-13-14/h4-9H,1,10H2,2-3H3/b7-5-,12-6+
InChIKeyDOWPWGJCBFKIIT-NFWBANDSSA-N
MW188.27 g/mol
LogP2.88
Rot. Bonds4

About 4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole

4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole (PubChem CID 143520603) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole
PubChem CID143520603
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole
SMILESC=C/C=C(\C=C/C)Cn1cc(C)cn1
InChIInChI=1S/C12H16N2/c1-4-6-12(7-5-2)10-14-9-11(3)8-13-14/h4-9H,1,10H2,2-3H3/b7-5-,12-6+
InChIKeyDOWPWGJCBFKIIT-NFWBANDSSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole?
The IUPAC name of 4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole (CID 143520603) is 4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole.
What is the SMILES notation for 4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole?
The canonical SMILES for 4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole is C=C/C=C(\C=C/C)Cn1cc(C)cn1.
What is the InChIKey of 4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole?
The InChIKey is DOWPWGJCBFKIIT-NFWBANDSSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-6-12(7-5-2)10-14-9-11(3)8-13-14/h4-9H,1,10H2,2-3H3/b7-5-,12-6+.
What are the key properties of 4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole?
4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole has a molecular weight of 188.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrazole is sourced from PubChem (CID 143520603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).