1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine

C13H22ClN5 — CID 91830851

IUPAC1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine
SMILESClc1cnn(CCN2CCN(C3CCNC3)CC2)c1
InChIInChI=1S/C13H22ClN5/c14-12-9-16-19(11-12)8-5-17-3-6-18(7-4-17)13-1-2-15-10-13/h9,11,13,15H,1-8,10H2
InChIKeyXYISDPJDVFUTDN-UHFFFAOYSA-N
MW283.81 g/mol
LogP0.52
Rot. Bonds4

About 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine

1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine (PubChem CID 91830851) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine.

Molecular Properties

Compound Name1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine
PubChem CID91830851
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine
SMILESClc1cnn(CCN2CCN(C3CCNC3)CC2)c1
InChIInChI=1S/C13H22ClN5/c14-12-9-16-19(11-12)8-5-17-3-6-18(7-4-17)13-1-2-15-10-13/h9,11,13,15H,1-8,10H2
InChIKeyXYISDPJDVFUTDN-UHFFFAOYSA-N
XLogP0.52
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-(pyrrolidin-3-yl)-1H-pyrazole
CID 62329636
2-(4-chloro-1H-pyrazol-1-yl)ethanamine
CID 7019315
4-(4-chloro-1H-pyrazol-1-yl)piperidine
CID 61685214
4-(4-chloro-1H-pyrazol-1-yl)piperidine hydrochloride
CID 71758511
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-N'-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 91835562
2-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane
CID 91843311
(2S,5S)-1-[2-(4-chloropyrazol-1-yl)ethyl]-2,5-dimethyl-4-prop-2-enylpiperazine
CID 164642648
1-[1-[[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967984
1-[1-[[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]piperazine
CID 120967985
(8aS)-2-[2-(4-chloropyrazol-1-yl)ethyl]-7,7-difluoro-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine
CID 139013969
N~1~-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-N~3~-methyl-N~3~-(1-methylpyrrolidin-3-yl)-beta-alaninamide
CID 118782708
2-(4-chloropyrazol-1-yl)-N-methylethanamine
CID 59134296

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine?
The IUPAC name of 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine (CID 91830851) is 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine.
What is the SMILES notation for 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine?
The canonical SMILES for 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine is Clc1cnn(CCN2CCN(C3CCNC3)CC2)c1.
What is the InChIKey of 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine?
The InChIKey is XYISDPJDVFUTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c14-12-9-16-19(11-12)8-5-17-3-6-18(7-4-17)13-1-2-15-10-13/h9,11,13,15H,1-8,10H2.
What are the key properties of 1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine?
1-[2-(4-chloropyrazol-1-yl)ethyl]-4-pyrrolidin-3-ylpiperazine has a molecular weight of 283.81 g/mol, XLogP of 0.52, 4 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]-4-pyrrolidin-3-ylpiperazine is sourced from PubChem (CID 91830851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).