[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone

C13H21ClN4O — CID 72866090

IUPAC[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone
SMILESCCC[C@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@@H]1N
InChIInChI=1S/C13H21ClN4O/c1-4-5-9-6-18(7-10(9)15)13(19)12-11(14)8(2)17(3)16-12/h9-10H,4-7,15H2,1-3H3/t9-,10-/m0/s1
InChIKeyABJKGYODCZSJHM-UWVGGRQHSA-N
MW284.79 g/mol
LogP1.58
Rot. Bonds3

About [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone

[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone (PubChem CID 72866090) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone
PubChem CID72866090
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone
SMILESCCC[C@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@@H]1N
InChIInChI=1S/C13H21ClN4O/c1-4-5-9-6-18(7-10(9)15)13(19)12-11(14)8(2)17(3)16-12/h9-10H,4-7,15H2,1-3H3/t9-,10-/m0/s1
InChIKeyABJKGYODCZSJHM-UWVGGRQHSA-N
XLogP1.58
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone (CID 72866090) is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone is CCC[C@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@@H]1N.
What is the InChIKey of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is ABJKGYODCZSJHM-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-4-5-9-6-18(7-10(9)15)13(19)12-11(14)8(2)17(3)16-12/h9-10H,4-7,15H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone?
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 284.79 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-chloro-1,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 72866090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).