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

C20H26N4O — CID 25122012

IUPACN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
SMILESCN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1CCN(C2CCC2)C1
InChIInChI=1S/C20H26N4O/c1-22(19-10-13-23(15-19)18-4-2-5-18)20(25)17-8-6-16(7-9-17)14-24-12-3-11-21-24/h3,6-9,11-12,18-19H,2,4-5,10,13-15H2,1H3/t19-/m1/s1
InChIKeyUSATUTGTIKDNIU-LJQANCHMSA-N
MW338.46 g/mol
LogP2.63
Rot. Bonds5

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

N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 25122012) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID25122012
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
SMILESCN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1CCN(C2CCC2)C1
InChIInChI=1S/C20H26N4O/c1-22(19-10-13-23(15-19)18-4-2-5-18)20(25)17-8-6-16(7-9-17)14-24-12-3-11-21-24/h3,6-9,11-12,18-19H,2,4-5,10,13-15H2,1H3/t19-/m1/s1
InChIKeyUSATUTGTIKDNIU-LJQANCHMSA-N
XLogP2.63
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.63
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-ylmethyl)benzamide?
The IUPAC name of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide (CID 25122012) is N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide is CN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1CCN(C2CCC2)C1.
What is the InChIKey of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is USATUTGTIKDNIU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22(19-10-13-23(15-19)18-4-2-5-18)20(25)17-8-6-16(7-9-17)14-24-12-3-11-21-24/h3,6-9,11-12,18-19H,2,4-5,10,13-15H2,1H3/t19-/m1/s1.
What are the key properties of N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide?
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 338.46 g/mol, XLogP of 2.63, 5 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-ylmethyl)benzamide is sourced from PubChem (CID 25122012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).