1,3-dimethyl-4-propa-1,2-dienylpyrazole

C8H10N2 — CID 142348541

IUPAC1,3-dimethyl-4-propa-1,2-dienylpyrazole
SMILESC=C=Cc1cn(C)nc1C
InChIInChI=1S/C8H10N2/c1-4-5-8-6-10(3)9-7(8)2/h5-6H,1H2,2-3H3
InChIKeyOEZXHNPEZJCXDI-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.53
Rot. Bonds1

About 1,3-dimethyl-4-propa-1,2-dienylpyrazole

1,3-dimethyl-4-propa-1,2-dienylpyrazole (PubChem CID 142348541) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,3-dimethyl-4-propa-1,2-dienylpyrazole.

Molecular Properties

Compound Name1,3-dimethyl-4-propa-1,2-dienylpyrazole
PubChem CID142348541
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,3-dimethyl-4-propa-1,2-dienylpyrazole
SMILESC=C=Cc1cn(C)nc1C
InChIInChI=1S/C8H10N2/c1-4-5-8-6-10(3)9-7(8)2/h5-6H,1H2,2-3H3
InChIKeyOEZXHNPEZJCXDI-UHFFFAOYSA-N
XLogP1.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(bromomethyl)-3-methylbut-1-enyl]-1,3-dimethylpyrazole
CID 83094363
4-bromo-1,3-dimethylpyrazole
CID 12615416
4-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]aniline
CID 12845041
3-(1,3-dimethylpyrazol-4-yl)-N,2-dimethylprop-2-en-1-amine
CID 83094821
4-tert-butyl-1,3-dimethylpyrazole;ethane
CID 144507341
[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
CID 7019316
3,4-bis(ethenyl)-1-methylpyrazole;ethane
CID 142981552
N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine
CID 83094458
(E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine
CID 103092667
1-(5-bromothiophen-2-yl)-3-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 4767244
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
1-(1,3-dimethylpyrazol-4-yl)-3-methylbut-2-en-1-one
CID 102802822

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-propa-1,2-dienylpyrazole?
The IUPAC name of 1,3-dimethyl-4-propa-1,2-dienylpyrazole (CID 142348541) is 1,3-dimethyl-4-propa-1,2-dienylpyrazole.
What is the SMILES notation for 1,3-dimethyl-4-propa-1,2-dienylpyrazole?
The canonical SMILES for 1,3-dimethyl-4-propa-1,2-dienylpyrazole is C=C=Cc1cn(C)nc1C.
What is the InChIKey of 1,3-dimethyl-4-propa-1,2-dienylpyrazole?
The InChIKey is OEZXHNPEZJCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-4-5-8-6-10(3)9-7(8)2/h5-6H,1H2,2-3H3.
What are the key properties of 1,3-dimethyl-4-propa-1,2-dienylpyrazole?
1,3-dimethyl-4-propa-1,2-dienylpyrazole has a molecular weight of 134.18 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-propa-1,2-dienylpyrazole is sourced from PubChem (CID 142348541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).