4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole

C8H12N2 — CID 54499166

IUPAC4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole
SMILESC/C=C/c1n[nH]c(C)c1C
InChIInChI=1S/C8H12N2/c1-4-5-8-6(2)7(3)9-10-8/h4-5H,1-3H3,(H,9,10)/b5-4+
InChIKeyYBFPQQYRXCPENW-SNAWJCMRSA-N
MW136.20 g/mol
LogP2.06
Rot. Bonds1

About 4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole

4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole (PubChem CID 54499166) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole.

Molecular Properties

Compound Name4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole
PubChem CID54499166
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole
SMILESC/C=C/c1n[nH]c(C)c1C
InChIInChI=1S/C8H12N2/c1-4-5-8-6(2)7(3)9-10-8/h4-5H,1-3H3,(H,9,10)/b5-4+
InChIKeyYBFPQQYRXCPENW-SNAWJCMRSA-N
XLogP2.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(4Z,6E)-6-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]octa-4,6-dienenitrile
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4-ethenyl-3-(1-fluoroethenyl)-5-methyl-1H-pyrazole
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3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole
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3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole
CID 156829189
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CID 166718799

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole?
The IUPAC name of 4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole (CID 54499166) is 4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole.
What is the SMILES notation for 4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole?
The canonical SMILES for 4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole is C/C=C/c1n[nH]c(C)c1C.
What is the InChIKey of 4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole?
The InChIKey is YBFPQQYRXCPENW-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-5-8-6(2)7(3)9-10-8/h4-5H,1-3H3,(H,9,10)/b5-4+.
What are the key properties of 4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole?
4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole has a molecular weight of 136.20 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[(E)-prop-1-enyl]-1H-pyrazole is sourced from PubChem (CID 54499166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).