5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole

C12H20ClN3 — CID 115688533

IUPAC5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
SMILESCCC1CCN(Cc2c(C)nn(C)c2Cl)C1
InChIInChI=1S/C12H20ClN3/c1-4-10-5-6-16(7-10)8-11-9(2)14-15(3)12(11)13/h10H,4-8H2,1-3H3
InChIKeyTXYKWPYNRJFETJ-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.61
Rot. Bonds3

About 5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole

5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole (PubChem CID 115688533) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
PubChem CID115688533
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
SMILESCCC1CCN(Cc2c(C)nn(C)c2Cl)C1
InChIInChI=1S/C12H20ClN3/c1-4-10-5-6-16(7-10)8-11-9(2)14-15(3)12(11)13/h10H,4-8H2,1-3H3
InChIKeyTXYKWPYNRJFETJ-UHFFFAOYSA-N
XLogP2.61
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole 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

5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
4-chloro-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine
CID 114682232
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine
CID 63609341
2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 62356478
[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961330
N-[[(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylbut-2-enamide
CID 95230004
4-benzyl-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 52551408
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1,4-oxazepane
CID 114217691
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
CID 55157463
5-chloro-1-methyl-4-[(3-propylpyrrolidin-1-yl)methyl]-3-(trifluoromethyl)pyrazole
CID 69295771
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 54920320
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 43162347

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole?
The IUPAC name of 5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole (CID 115688533) is 5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole is CCC1CCN(Cc2c(C)nn(C)c2Cl)C1.
What is the InChIKey of 5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole?
The InChIKey is TXYKWPYNRJFETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-4-10-5-6-16(7-10)8-11-9(2)14-15(3)12(11)13/h10H,4-8H2,1-3H3.
What are the key properties of 5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole?
5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole has a molecular weight of 241.77 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 115688533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).