4-chloro-1-ethylpyrazol-3-amine;hydrochloride

C5H9Cl2N3 — CID 90484219

IUPAC4-chloro-1-ethylpyrazol-3-amine;hydrochloride
SMILESCCn1cc(Cl)c(N)n1.Cl
InChIInChI=1S/C5H8ClN3.ClH/c1-2-9-3-4(6)5(7)8-9;/h3H,2H2,1H3,(H2,7,8);1H
InChIKeyIKEYDHUGDFYFER-UHFFFAOYSA-N
MW182.05 g/mol
LogP1.56
Rot. Bonds1

About 4-chloro-1-ethylpyrazol-3-amine;hydrochloride

4-chloro-1-ethylpyrazol-3-amine;hydrochloride (PubChem CID 90484219) has the molecular formula C5H9Cl2N3 and a molecular weight of 182.05 g/mol. Its IUPAC name is 4-chloro-1-ethylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-1-ethylpyrazol-3-amine;hydrochloride
PubChem CID90484219
Molecular FormulaC5H9Cl2N3
Molecular Weight182.05 g/mol
Exact Mass181.02
IUPAC Name4-chloro-1-ethylpyrazol-3-amine;hydrochloride
SMILESCCn1cc(Cl)c(N)n1.Cl
InChIInChI=1S/C5H8ClN3.ClH/c1-2-9-3-4(6)5(7)8-9;/h3H,2H2,1H3,(H2,7,8);1H
InChIKeyIKEYDHUGDFYFER-UHFFFAOYSA-N
XLogP1.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-1H-pyrazol-3-amine
CID 19619846
3-(4-chloro-1H-pyrazol-1-yl)propan-1-amine
CID 19619542
4-Chloro-1-methyl-1H-pyrazol-3-amine
CID 19616928
4-Chloro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19619545
4-Iodo-1-methyl-1H-pyrazol-3-amine
CID 19802986
4-methyl-1-(propan-2-yl)-1H-pyrazol-3-amine
CID 45602180
1,4-dimethyl-1H-pyrazol-3-amine hydrochloride
CID 69704255
1,4-Dimethyl-1H-pyrazol-3-amine
CID 12847949
4-methyl-1-propyl-1H-pyrazol-3-amine
CID 45602181
1-Ethyl-4-iodo-1H-pyrazol-3-amine
CID 60136780
4-chloro-1-(propan-2-yl)-1H-pyrazol-3-amine hydrochloride
CID 90484325
4-fluoro-1-methyl-1H-pyrazol-3-amine
CID 130889631

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethylpyrazol-3-amine;hydrochloride?
The IUPAC name of 4-chloro-1-ethylpyrazol-3-amine;hydrochloride (CID 90484219) is 4-chloro-1-ethylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-chloro-1-ethylpyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-chloro-1-ethylpyrazol-3-amine;hydrochloride is CCn1cc(Cl)c(N)n1.Cl.
What is the InChIKey of 4-chloro-1-ethylpyrazol-3-amine;hydrochloride?
The InChIKey is IKEYDHUGDFYFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3.ClH/c1-2-9-3-4(6)5(7)8-9;/h3H,2H2,1H3,(H2,7,8);1H.
What are the key properties of 4-chloro-1-ethylpyrazol-3-amine;hydrochloride?
4-chloro-1-ethylpyrazol-3-amine;hydrochloride has a molecular weight of 182.05 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 90484219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).