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

C11H18ClN3O — CID 114639261

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one
SMILESCCCC(=O)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C11H18ClN3O/c1-4-5-10(16)11-9(12)8-13-15(11)7-6-14(2)3/h8H,4-7H2,1-3H3
InChIKeyATGUKVADPJHRQT-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.08
Rot. Bonds6

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

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one (PubChem CID 114639261) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one
PubChem CID114639261
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one
SMILESCCCC(=O)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C11H18ClN3O/c1-4-5-10(16)11-9(12)8-13-15(11)7-6-14(2)3/h8H,4-7H2,1-3H3
InChIKeyATGUKVADPJHRQT-UHFFFAOYSA-N
XLogP2.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-methoxypropan-1-one
CID 114639468
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]-3-methylpentan-1-one
CID 115802658
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropylethanone
CID 114641756
3-(aminomethyl)-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]pentan-1-one
CID 114670477
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cycloheptylethanone
CID 115802561
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-fluorophenyl)ethanone
CID 114639082
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(prop-2-enylamino)ethanone
CID 114670154
2-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpentan-1-one
CID 114668566
3-amino-1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4,4-dimethylpentan-1-one
CID 114671053

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one (CID 114639261) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one is CCCC(=O)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one?
The InChIKey is ATGUKVADPJHRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-5-10(16)11-9(12)8-13-15(11)7-6-14(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one has a molecular weight of 243.74 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one is sourced from PubChem (CID 114639261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).