4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane

C10H19ClN2 — CID 177038898

IUPAC4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane
SMILESCC.CCc1c(Cl)cnn1C(C)C
InChIInChI=1S/C8H13ClN2.C2H6/c1-4-8-7(9)5-10-11(8)6(2)3;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyZVSWLVHFWUBRBQ-UHFFFAOYSA-N
MW202.73 g/mol
LogP3.71
Rot. Bonds2

About 4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane

4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane (PubChem CID 177038898) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is 4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane.

Molecular Properties

Compound Name4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane
PubChem CID177038898
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane
SMILESCC.CCc1c(Cl)cnn1C(C)C
InChIInChI=1S/C8H13ClN2.C2H6/c1-4-8-7(9)5-10-11(8)6(2)3;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyZVSWLVHFWUBRBQ-UHFFFAOYSA-N
XLogP3.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)methylhydrazine
CID 105220837
5-ethyl-1,4-di(propan-2-yl)pyrazole
CID 146648119
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine
CID 114663927
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]cyclopropanamine
CID 114652139
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635180
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
4-chloro-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114644194
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylphenyl)methanamine
CID 114646624
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114656892
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 114644430
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane?
The IUPAC name of 4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane (CID 177038898) is 4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane.
What is the SMILES notation for 4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane?
The canonical SMILES for 4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane is CC.CCc1c(Cl)cnn1C(C)C.
What is the InChIKey of 4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane?
The InChIKey is ZVSWLVHFWUBRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2.C2H6/c1-4-8-7(9)5-10-11(8)6(2)3;1-2/h5-6H,4H2,1-3H3;1-2H3.
What are the key properties of 4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane?
4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane has a molecular weight of 202.73 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-1-propan-2-ylpyrazole;ethane is sourced from PubChem (CID 177038898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).