4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole

C12H18N2 — CID 143740870

IUPAC4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole
SMILESC=C/C=C(/CC)c1c(C)nn(C)c1C
InChIInChI=1S/C12H18N2/c1-6-8-11(7-2)12-9(3)13-14(5)10(12)4/h6,8H,1,7H2,2-5H3/b11-8-
InChIKeySISLTPCMIDFLNR-FLIBITNWSA-N
MW190.29 g/mol
LogP3.02
Rot. Bonds3

About 4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole

4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole (PubChem CID 143740870) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole
PubChem CID143740870
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole
SMILESC=C/C=C(/CC)c1c(C)nn(C)c1C
InChIInChI=1S/C12H18N2/c1-6-8-11(7-2)12-9(3)13-14(5)10(12)4/h6,8H,1,7H2,2-5H3/b11-8-
InChIKeySISLTPCMIDFLNR-FLIBITNWSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1E)-1-fluorobuta-1,3-dienyl]-1,3,5-trimethylpyrazole
CID 143740724
(1E)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)buta-1,3-dien-1-amine
CID 143740810
(E)-3-(1,3,5-trimethylpyrazol-4-yl)hex-2-enoic acid
CID 112721876
1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-1-one
CID 105104374
ethyl 5-(1,3,5-trimethylpyrazol-4-yl)hexa-2,4-dienoate
CID 114193780
(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-one
CID 103970874
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-one
CID 105091756
(E)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-enoic acid
CID 112721875
(Z)-4-(1,3,5-trimethylpyrazol-4-yl)pent-3-en-2-ol
CID 103971270
N-hydroxy-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742914
(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222398
1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propane-1,3-dione
CID 63319605

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole?
The IUPAC name of 4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole (CID 143740870) is 4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole is C=C/C=C(/CC)c1c(C)nn(C)c1C.
What is the InChIKey of 4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole?
The InChIKey is SISLTPCMIDFLNR-FLIBITNWSA-N. The full InChI is InChI=1S/C12H18N2/c1-6-8-11(7-2)12-9(3)13-14(5)10(12)4/h6,8H,1,7H2,2-5H3/b11-8-.
What are the key properties of 4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole?
4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole has a molecular weight of 190.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-hexa-3,5-dien-3-yl]-1,3,5-trimethylpyrazole is sourced from PubChem (CID 143740870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).