5-chloro-3-ethyl-1-propan-2-ylpyrazole

C8H13ClN2 — CID 66020774

IUPAC5-chloro-3-ethyl-1-propan-2-ylpyrazole
SMILESCCc1cc(Cl)n(C(C)C)n1
InChIInChI=1S/C8H13ClN2/c1-4-7-5-8(9)11(10-7)6(2)3/h5-6H,4H2,1-3H3
InChIKeyLEIMXSNZCIBJRQ-UHFFFAOYSA-N
MW172.66 g/mol
LogP2.68
Rot. Bonds2

About 5-chloro-3-ethyl-1-propan-2-ylpyrazole

5-chloro-3-ethyl-1-propan-2-ylpyrazole (PubChem CID 66020774) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-propan-2-ylpyrazole
PubChem CID66020774
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name5-chloro-3-ethyl-1-propan-2-ylpyrazole
SMILESCCc1cc(Cl)n(C(C)C)n1
InChIInChI=1S/C8H13ClN2/c1-4-7-5-8(9)11(10-7)6(2)3/h5-6H,4H2,1-3H3
InChIKeyLEIMXSNZCIBJRQ-UHFFFAOYSA-N
XLogP2.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-5-methyl-1-propan-2-ylpyrazole
CID 58977189
5-bromo-3-ethyl-1-propan-2-ylpyrazole
CID 130115872
5-tert-butyl-3-ethyl-1-propan-2-ylpyrazole
CID 142320230
5-chloro-1,3-di(propan-2-yl)pyrazole
CID 66020569
4-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-1-methylpiperidine
CID 123944716
2-(5-chloro-3-ethylpyrazol-1-yl)acetic acid
CID 66015514
4-(5-chloro-3-ethylpyrazol-1-yl)pyridine
CID 66020979
5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole
CID 66015518
5-chloro-3-ethyl-1-(4-fluorophenyl)pyrazole
CID 66021561
(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
CID 107427777
1-(2-chlorophenyl)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 82692543
(1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197956

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-propan-2-ylpyrazole?
The IUPAC name of 5-chloro-3-ethyl-1-propan-2-ylpyrazole (CID 66020774) is 5-chloro-3-ethyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-chloro-3-ethyl-1-propan-2-ylpyrazole?
The canonical SMILES for 5-chloro-3-ethyl-1-propan-2-ylpyrazole is CCc1cc(Cl)n(C(C)C)n1.
What is the InChIKey of 5-chloro-3-ethyl-1-propan-2-ylpyrazole?
The InChIKey is LEIMXSNZCIBJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2/c1-4-7-5-8(9)11(10-7)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 5-chloro-3-ethyl-1-propan-2-ylpyrazole?
5-chloro-3-ethyl-1-propan-2-ylpyrazole has a molecular weight of 172.66 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 66020774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).