4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole

C8H9ClN4 — CID 19621326

IUPAC4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole
SMILESCCn1cc(-c2[nH]ncc2Cl)cn1
InChIInChI=1S/C8H9ClN4/c1-2-13-5-6(3-11-13)8-7(9)4-10-12-8/h3-5H,2H2,1H3,(H,10,12)
InChIKeyYINLYIIAQZOMEF-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.95
Rot. Bonds2

About 4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole

4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole (PubChem CID 19621326) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole
PubChem CID19621326
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole
SMILESCCn1cc(-c2[nH]ncc2Cl)cn1
InChIInChI=1S/C8H9ClN4/c1-2-13-5-6(3-11-13)8-7(9)4-10-12-8/h3-5H,2H2,1H3,(H,10,12)
InChIKeyYINLYIIAQZOMEF-UHFFFAOYSA-N
XLogP1.95
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(1-ethylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79485662
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CID 107615727
6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one
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1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride
CID 67500295
4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
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1-[2-chloro-4-(1-ethylpyrazol-4-yl)phenyl]ethanamine
CID 82783612
[1-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-(1-ethylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone
CID 139021964
4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine
CID 95732740
4-(4-tert-butylphenyl)-1-ethylpyrazole
CID 126653145
5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
CID 103570148
4-chloro-2-ethyl-6-(1-ethylpyrazol-4-yl)-5-methylpyrimidine
CID 80975287
4-(1-ethylpyrazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 62800475

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole?
The IUPAC name of 4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole (CID 19621326) is 4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole is CCn1cc(-c2[nH]ncc2Cl)cn1.
What is the InChIKey of 4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole?
The InChIKey is YINLYIIAQZOMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-2-13-5-6(3-11-13)8-7(9)4-10-12-8/h3-5H,2H2,1H3,(H,10,12).
What are the key properties of 4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole?
4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole has a molecular weight of 196.64 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-ethylpyrazol-4-yl)-1H-pyrazole is sourced from PubChem (CID 19621326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).