2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine

C12H21ClN4 — CID 114663137

IUPAC2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C1CCCCN1
InChIInChI=1S/C12H21ClN4/c1-16(2)7-8-17-12(10(13)9-15-17)11-5-3-4-6-14-11/h9,11,14H,3-8H2,1-2H3
InChIKeySSZZDSHDCHPNMU-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.91
Rot. Bonds4

About 2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine

2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine (PubChem CID 114663137) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine
PubChem CID114663137
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C1CCCCN1
InChIInChI=1S/C12H21ClN4/c1-16(2)7-8-17-12(10(13)9-15-17)11-5-3-4-6-14-11/h9,11,14H,3-8H2,1-2H3
InChIKeySSZZDSHDCHPNMU-UHFFFAOYSA-N
XLogP1.91
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1-ethylpyrazol-5-yl)azepane
CID 114663189
2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114663397
2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114666556
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol
CID 114637159
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-piperidin-3-ylethanone
CID 114668929
2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114652025
4-bromo-1-ethyl-5-pyrrolidin-2-ylpyrazole
CID 114663184
2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine
CID 117233230
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cycloheptylethanone
CID 115802561
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190913
2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038986
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
CID 115834359

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine (CID 114663137) is 2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine is CN(C)CCn1ncc(Cl)c1C1CCCCN1.
What is the InChIKey of 2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine?
The InChIKey is SSZZDSHDCHPNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-16(2)7-8-17-12(10(13)9-15-17)11-5-3-4-6-14-11/h9,11,14H,3-8H2,1-2H3.
What are the key properties of 2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine?
2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine has a molecular weight of 256.78 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 114663137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).