N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine

C14H25ClN4 — CID 91835562

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)C1CCCC1)CCn1cc(Cl)cn1
InChIInChI=1S/C14H25ClN4/c1-17(8-10-19-12-13(15)11-16-19)7-9-18(2)14-5-3-4-6-14/h11-12,14H,3-10H2,1-2H3
InChIKeyOWIGFTVXMBITHW-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.34
Rot. Bonds7

About N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine

N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 91835562) has the molecular formula C14H25ClN4 and a molecular weight of 284.83 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine
PubChem CID91835562
Molecular FormulaC14H25ClN4
Molecular Weight284.83 g/mol
Exact Mass284.18
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)C1CCCC1)CCn1cc(Cl)cn1
InChIInChI=1S/C14H25ClN4/c1-17(8-10-19-12-13(15)11-16-19)7-9-18(2)14-5-3-4-6-14/h11-12,14H,3-10H2,1-2H3
InChIKeyOWIGFTVXMBITHW-UHFFFAOYSA-N
XLogP2.34
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine (CID 91835562) is N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)C1CCCC1)CCn1cc(Cl)cn1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is OWIGFTVXMBITHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-17(8-10-19-12-13(15)11-16-19)7-9-18(2)14-5-3-4-6-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine?
N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 284.83 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 91835562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).