N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine

C10H18ClN3 — CID 62566978

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCn1cc(Cl)cn1
InChIInChI=1S/C10H18ClN3/c1-4-10(2,3)12-5-6-14-8-9(11)7-13-14/h7-8,12H,4-6H2,1-3H3
InChIKeyIHWAQIVJTIHRMI-UHFFFAOYSA-N
MW215.73 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine

N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine (PubChem CID 62566978) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine
PubChem CID62566978
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCn1cc(Cl)cn1
InChIInChI=1S/C10H18ClN3/c1-4-10(2,3)12-5-6-14-8-9(11)7-13-14/h7-8,12H,4-6H2,1-3H3
InChIKeyIHWAQIVJTIHRMI-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine (CID 62566978) is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine is CCC(C)(C)NCCn1cc(Cl)cn1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine?
The InChIKey is IHWAQIVJTIHRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-4-10(2,3)12-5-6-14-8-9(11)7-13-14/h7-8,12H,4-6H2,1-3H3.
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine?
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine has a molecular weight of 215.73 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 62566978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).