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

C10H18ClN3 — CID 62567762

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCn1cc(Cl)cn1
InChIInChI=1S/C10H18ClN3/c1-3-10(4-2)12-5-6-14-8-9(11)7-13-14/h7-8,10,12H,3-6H2,1-2H3
InChIKeyDVXCRTBOGJPORZ-UHFFFAOYSA-N
MW215.73 g/mol
LogP2.31
Rot. Bonds6

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

N-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine (PubChem CID 62567762) 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]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine
PubChem CID62567762
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCn1cc(Cl)cn1
InChIInChI=1S/C10H18ClN3/c1-3-10(4-2)12-5-6-14-8-9(11)7-13-14/h7-8,10,12H,3-6H2,1-2H3
InChIKeyDVXCRTBOGJPORZ-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile
CID 63029338
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylbutan-2-amine
CID 62566978
N-[2-(4-chloropyrazol-1-yl)ethyl]methanesulfonamide
CID 22208836
4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide
CID 63040505
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
2-[2-(4-chloropyrazol-1-yl)ethylamino]-N-(4-ethylphenyl)propanamide
CID 167891481
ethyl 4-(4-chloropyrazol-1-yl)-2-(propylamino)butanoate
CID 63040126
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
2-(4-chloropyrazol-1-yl)ethanol
CID 7172186
2-(4-chloropyrazol-1-yl)ethylazanium
CID 7019314
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine (CID 62567762) is N-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine is CCC(CC)NCCn1cc(Cl)cn1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine?
The InChIKey is DVXCRTBOGJPORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-3-10(4-2)12-5-6-14-8-9(11)7-13-14/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine?
N-[2-(4-chloropyrazol-1-yl)ethyl]pentan-3-amine has a molecular weight of 215.73 g/mol, XLogP of 2.31, 6 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]pentan-3-amine is sourced from PubChem (CID 62567762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).