4-ethyl-5-prop-1-en-2-yl-1H-pyrazole

C8H12N2 — CID 138671207

IUPAC4-ethyl-5-prop-1-en-2-yl-1H-pyrazole
SMILESC=C(C)c1[nH]ncc1CC
InChIInChI=1S/C8H12N2/c1-4-7-5-9-10-8(7)6(2)3/h5H,2,4H2,1,3H3,(H,9,10)
InChIKeyYPJQFUKQDIQNCA-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.01
Rot. Bonds2

About 4-ethyl-5-prop-1-en-2-yl-1H-pyrazole

4-ethyl-5-prop-1-en-2-yl-1H-pyrazole (PubChem CID 138671207) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-ethyl-5-prop-1-en-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-ethyl-5-prop-1-en-2-yl-1H-pyrazole
PubChem CID138671207
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-ethyl-5-prop-1-en-2-yl-1H-pyrazole
SMILESC=C(C)c1[nH]ncc1CC
InChIInChI=1S/C8H12N2/c1-4-7-5-9-10-8(7)6(2)3/h5H,2,4H2,1,3H3,(H,9,10)
InChIKeyYPJQFUKQDIQNCA-UHFFFAOYSA-N
XLogP2.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-butyl-1H-pyrazole-5-carboxamide
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CID 22864853
1-[4-(2-chloro-2,2-difluoroethyl)-1H-pyrazol-5-yl]ethanone
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1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one
CID 175318803
5-ethenyl-4-prop-1-en-2-yl-1H-pyrazole
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5-butyl-4-ethyl-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-prop-1-en-2-yl-1H-pyrazole?
The IUPAC name of 4-ethyl-5-prop-1-en-2-yl-1H-pyrazole (CID 138671207) is 4-ethyl-5-prop-1-en-2-yl-1H-pyrazole.
What is the SMILES notation for 4-ethyl-5-prop-1-en-2-yl-1H-pyrazole?
The canonical SMILES for 4-ethyl-5-prop-1-en-2-yl-1H-pyrazole is C=C(C)c1[nH]ncc1CC.
What is the InChIKey of 4-ethyl-5-prop-1-en-2-yl-1H-pyrazole?
The InChIKey is YPJQFUKQDIQNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-7-5-9-10-8(7)6(2)3/h5H,2,4H2,1,3H3,(H,9,10).
What are the key properties of 4-ethyl-5-prop-1-en-2-yl-1H-pyrazole?
4-ethyl-5-prop-1-en-2-yl-1H-pyrazole has a molecular weight of 136.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-prop-1-en-2-yl-1H-pyrazole is sourced from PubChem (CID 138671207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).