N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide

C19H24N4O — CID 25122009

IUPACN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCN(C(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CCN(C2CCC2)C1
InChIInChI=1S/C19H24N4O/c1-21(18-10-13-22(14-18)16-4-2-5-16)19(24)15-6-8-17(9-7-15)23-12-3-11-20-23/h3,6-9,11-12,16,18H,2,4-5,10,13-14H2,1H3/t18-/m1/s1
InChIKeyGMZPKGMWIYKNFL-GOSISDBHSA-N
MW324.43 g/mol
LogP2.57
Rot. Bonds4

About N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide

N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide (PubChem CID 25122009) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
PubChem CID25122009
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCN(C(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CCN(C2CCC2)C1
InChIInChI=1S/C19H24N4O/c1-21(18-10-13-22(14-18)16-4-2-5-16)19(24)15-6-8-17(9-7-15)23-12-3-11-20-23/h3,6-9,11-12,16,18H,2,4-5,10,13-14H2,1H3/t18-/m1/s1
InChIKeyGMZPKGMWIYKNFL-GOSISDBHSA-N
XLogP2.57
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide (CID 25122009) is N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide is CN(C(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CCN(C2CCC2)C1.
What is the InChIKey of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide?
The InChIKey is GMZPKGMWIYKNFL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N4O/c1-21(18-10-13-22(14-18)16-4-2-5-16)19(24)15-6-8-17(9-7-15)23-12-3-11-20-23/h3,6-9,11-12,16,18H,2,4-5,10,13-14H2,1H3/t18-/m1/s1.
What are the key properties of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide?
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide has a molecular weight of 324.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 25122009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).