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

C20H26N4O — CID 56682300

IUPACN-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCN(C(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C20H26N4O/c1-22(19-11-14-23(15-19)17-5-2-3-6-17)20(25)16-7-9-18(10-8-16)24-13-4-12-21-24/h4,7-10,12-13,17,19H,2-3,5-6,11,14-15H2,1H3/t19-/m1/s1
InChIKeyMKCPKLRBORNGKZ-LJQANCHMSA-N
MW338.45 g/mol
LogP2.96
Rot. Bonds4

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

N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide (PubChem CID 56682300) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
PubChem CID56682300
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCN(C(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C20H26N4O/c1-22(19-11-14-23(15-19)17-5-2-3-6-17)20(25)16-7-9-18(10-8-16)24-13-4-12-21-24/h4,7-10,12-13,17,19H,2-3,5-6,11,14-15H2,1H3/t19-/m1/s1
InChIKeyMKCPKLRBORNGKZ-LJQANCHMSA-N
XLogP2.96
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride
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N-methyl-N-piperidin-3-yl-4-pyrazol-1-ylbenzamide
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N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
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CID 69251373
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CID 42344868
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
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N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
CID 38270812

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide (CID 56682300) is N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide is CN(C(=O)c1ccc(-n2cccn2)cc1)[C@@H]1CCN(C2CCCC2)C1.
What is the InChIKey of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide?
The InChIKey is MKCPKLRBORNGKZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22(19-11-14-23(15-19)17-5-2-3-6-17)20(25)16-7-9-18(10-8-16)24-13-4-12-21-24/h4,7-10,12-13,17,19H,2-3,5-6,11,14-15H2,1H3/t19-/m1/s1.
What are the key properties of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide?
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 2.96, 4 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-ylbenzamide is sourced from PubChem (CID 56682300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).