2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

C12H17ClN4 — CID 79573369

IUPAC2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCn1cc(Cl)cn1
InChIInChI=1S/C12H17ClN4/c1-15-12(9-14)5-2-3-10(12)4-6-17-8-11(13)7-16-17/h7-8,10,15H,2-6H2,1H3
InChIKeyHOBFIHPSCPPMPO-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.21
Rot. Bonds4

About 2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79573369) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79573369
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCCC1CCn1cc(Cl)cn1
InChIInChI=1S/C12H17ClN4/c1-15-12(9-14)5-2-3-10(12)4-6-17-8-11(13)7-16-17/h7-8,10,15H,2-6H2,1H3
InChIKeyHOBFIHPSCPPMPO-UHFFFAOYSA-N
XLogP2.21
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79573369) is 2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCCC1CCn1cc(Cl)cn1.
What is the InChIKey of 2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is HOBFIHPSCPPMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-15-12(9-14)5-2-3-10(12)4-6-17-8-11(13)7-16-17/h7-8,10,15H,2-6H2,1H3.
What are the key properties of 2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 252.75 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloropyrazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79573369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).