3-chloro-1-ethylpyrazole-4,5-diamine

C5H9ClN4 — CID 66769875

IUPAC3-chloro-1-ethylpyrazole-4,5-diamine
SMILESCCn1nc(Cl)c(N)c1N
InChIInChI=1S/C5H9ClN4/c1-2-10-5(8)3(7)4(6)9-10/h2,7-8H2,1H3
InChIKeyNHUYQLPAJAJJAW-UHFFFAOYSA-N
MW160.61 g/mol
LogP0.72
Rot. Bonds1

About 3-chloro-1-ethylpyrazole-4,5-diamine

3-chloro-1-ethylpyrazole-4,5-diamine (PubChem CID 66769875) has the molecular formula C5H9ClN4 and a molecular weight of 160.61 g/mol. Its IUPAC name is 3-chloro-1-ethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-chloro-1-ethylpyrazole-4,5-diamine
PubChem CID66769875
Molecular FormulaC5H9ClN4
Molecular Weight160.61 g/mol
Exact Mass160.05
IUPAC Name3-chloro-1-ethylpyrazole-4,5-diamine
SMILESCCn1nc(Cl)c(N)c1N
InChIInChI=1S/C5H9ClN4/c1-2-10-5(8)3(7)4(6)9-10/h2,7-8H2,1H3
InChIKeyNHUYQLPAJAJJAW-UHFFFAOYSA-N
XLogP0.72
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.61
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethylpyrazole-4,5-diamine?
The IUPAC name of 3-chloro-1-ethylpyrazole-4,5-diamine (CID 66769875) is 3-chloro-1-ethylpyrazole-4,5-diamine.
What is the SMILES notation for 3-chloro-1-ethylpyrazole-4,5-diamine?
The canonical SMILES for 3-chloro-1-ethylpyrazole-4,5-diamine is CCn1nc(Cl)c(N)c1N.
What is the InChIKey of 3-chloro-1-ethylpyrazole-4,5-diamine?
The InChIKey is NHUYQLPAJAJJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN4/c1-2-10-5(8)3(7)4(6)9-10/h2,7-8H2,1H3.
What are the key properties of 3-chloro-1-ethylpyrazole-4,5-diamine?
3-chloro-1-ethylpyrazole-4,5-diamine has a molecular weight of 160.61 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethylpyrazole-4,5-diamine is sourced from PubChem (CID 66769875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).