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

C21H28N4O — CID 56658415

IUPACN-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
SMILESCN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C21H28N4O/c1-23(20-11-14-24(16-20)19-5-2-3-6-19)21(26)18-9-7-17(8-10-18)15-25-13-4-12-22-25/h4,7-10,12-13,19-20H,2-3,5-6,11,14-16H2,1H3/t20-/m1/s1
InChIKeyMTGNCHHZOJAEKO-HXUWFJFHSA-N
MW352.48 g/mol
LogP3.02
Rot. Bonds5

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

N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 56658415) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID56658415
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
SMILESCN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C21H28N4O/c1-23(20-11-14-24(16-20)19-5-2-3-6-19)21(26)18-9-7-17(8-10-18)15-25-13-4-12-22-25/h4,7-10,12-13,19-20H,2-3,5-6,11,14-16H2,1H3/t20-/m1/s1
InChIKeyMTGNCHHZOJAEKO-HXUWFJFHSA-N
XLogP3.02
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide (CID 56658415) is N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide is CN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1CCN(C2CCCC2)C1.
What is the InChIKey of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is MTGNCHHZOJAEKO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N4O/c1-23(20-11-14-24(16-20)19-5-2-3-6-19)21(26)18-9-7-17(8-10-18)15-25-13-4-12-22-25/h4,7-10,12-13,19-20H,2-3,5-6,11,14-16H2,1H3/t20-/m1/s1.
What are the key properties of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide?
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 56658415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).