1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride

C11H13Cl2N3 — CID 86775399

IUPAC1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride
SMILESCCc1c(N)cnn1-c1ccccc1Cl.Cl
InChIInChI=1S/C11H12ClN3.ClH/c1-2-10-9(13)7-14-15(10)11-6-4-3-5-8(11)12;/h3-7H,2,13H2,1H3;1H
InChIKeyFILMBSOKXXLABE-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.09
Rot. Bonds2

About 1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride

1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride (PubChem CID 86775399) has the molecular formula C11H13Cl2N3 and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride
PubChem CID86775399
Molecular FormulaC11H13Cl2N3
Molecular Weight258.15 g/mol
Exact Mass257.05
IUPAC Name1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride
SMILESCCc1c(N)cnn1-c1ccccc1Cl.Cl
InChIInChI=1S/C11H12ClN3.ClH/c1-2-10-9(13)7-14-15(10)11-6-4-3-5-8(11)12;/h3-7H,2,13H2,1H3;1H
InChIKeyFILMBSOKXXLABE-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride (CID 86775399) is 1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride is CCc1c(N)cnn1-c1ccccc1Cl.Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride?
The InChIKey is FILMBSOKXXLABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3.ClH/c1-2-10-9(13)7-14-15(10)11-6-4-3-5-8(11)12;/h3-7H,2,13H2,1H3;1H.
What are the key properties of 1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride?
1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride has a molecular weight of 258.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 86775399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).