2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one

C13H23ClN4O — CID 114668566

IUPAC2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C13H23ClN4O/c1-5-6-13(2,15)12(19)11-10(14)9-16-18(11)8-7-17(3)4/h9H,5-8,15H2,1-4H3
InChIKeyAGKGYVLNPQDECP-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.80
Rot. Bonds7

About 2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one

2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one (PubChem CID 114668566) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one
PubChem CID114668566
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C13H23ClN4O/c1-5-6-13(2,15)12(19)11-10(14)9-16-18(11)8-7-17(3)4/h9H,5-8,15H2,1-4H3
InChIKeyAGKGYVLNPQDECP-UHFFFAOYSA-N
XLogP1.80
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-one
CID 114668567
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one
CID 114639261
1-(4-chloro-1-propylpyrazol-5-yl)-2-(dimethylamino)-2-methylpropan-1-one
CID 114641062
3-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4,4-dimethylpentan-1-one
CID 114671053
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-pyrimidin-5-ylmethanone
CID 102923235
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dichlorophenyl)methanone
CID 115802609
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-methylpentan-1-one
CID 115802658
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668636
3-(aminomethyl)-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]pentan-1-one
CID 114670477
(1-aminocyclobutyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670583
6-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-1-one
CID 114668172
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(methylamino)propan-1-one
CID 114668966

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one (CID 114668566) is 2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one is CCCC(C)(N)C(=O)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one?
The InChIKey is AGKGYVLNPQDECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-5-6-13(2,15)12(19)11-10(14)9-16-18(11)8-7-17(3)4/h9H,5-8,15H2,1-4H3.
What are the key properties of 2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one?
2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one has a molecular weight of 286.81 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one is sourced from PubChem (CID 114668566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).