1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine

C8H10ClN5 — CID 63316326

IUPAC1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCn2cc(Cl)cn2)n1
InChIInChI=1S/C8H10ClN5/c9-7-5-11-14(6-7)4-3-13-2-1-8(10)12-13/h1-2,5-6H,3-4H2,(H2,10,12)
InChIKeyRTEJNGHMDDGEKK-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.02
Rot. Bonds3

About 1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine

1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine (PubChem CID 63316326) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is 1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine
PubChem CID63316326
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCn2cc(Cl)cn2)n1
InChIInChI=1S/C8H10ClN5/c9-7-5-11-14(6-7)4-3-13-2-1-8(10)12-13/h1-2,5-6H,3-4H2,(H2,10,12)
InChIKeyRTEJNGHMDDGEKK-UHFFFAOYSA-N
XLogP1.02
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine (CID 63316326) is 1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine is Nc1ccn(CCn2cc(Cl)cn2)n1.
What is the InChIKey of 1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine?
The InChIKey is RTEJNGHMDDGEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5/c9-7-5-11-14(6-7)4-3-13-2-1-8(10)12-13/h1-2,5-6H,3-4H2,(H2,10,12).
What are the key properties of 1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine?
1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine has a molecular weight of 211.66 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).