5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole

C11H19ClN2 — CID 66020171

IUPAC5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole
SMILESCCc1c(C)nn(CCC(C)C)c1Cl
InChIInChI=1S/C11H19ClN2/c1-5-10-9(4)13-14(11(10)12)7-6-8(2)3/h8H,5-7H2,1-4H3
InChIKeyGKLMWNXQROSZDM-UHFFFAOYSA-N
MW214.74 g/mol
LogP3.45
Rot. Bonds4

About 5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole

5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole (PubChem CID 66020171) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole
PubChem CID66020171
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole
SMILESCCc1c(C)nn(CCC(C)C)c1Cl
InChIInChI=1S/C11H19ClN2/c1-5-10-9(4)13-14(11(10)12)7-6-8(2)3/h8H,5-7H2,1-4H3
InChIKeyGKLMWNXQROSZDM-UHFFFAOYSA-N
XLogP3.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023029
5-chloro-3-ethyl-1-(3-methylbutyl)-4-nitropyrazole
CID 66020170
3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 79225074
2-amino-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-ol
CID 64811343
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol
CID 61265708
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]heptan-2-amine
CID 62567200
4-(1-chloroethyl)-3,5-dimethyl-1-(4-methylpentyl)pyrazole
CID 83168709
5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole
CID 66023049
2-ethoxy-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)butan-1-amine
CID 63071239
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine
CID 83168483
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-1-ol
CID 62229176

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole?
The IUPAC name of 5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole (CID 66020171) is 5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole.
What is the SMILES notation for 5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole?
The canonical SMILES for 5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole is CCc1c(C)nn(CCC(C)C)c1Cl.
What is the InChIKey of 5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole?
The InChIKey is GKLMWNXQROSZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2/c1-5-10-9(4)13-14(11(10)12)7-6-8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of 5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole?
5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole has a molecular weight of 214.74 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole is sourced from PubChem (CID 66020171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).