N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide

C22H24N4O — CID 72929497

IUPACN-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESO=C(NCCN1CCC(c2ccccc2)C1)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C22H24N4O/c27-22(19-8-6-18(7-9-19)21-10-12-24-25-21)23-13-15-26-14-11-20(16-26)17-4-2-1-3-5-17/h1-10,12,20H,11,13-16H2,(H,23,27)(H,24,25)
InChIKeyYEUDDFVIWOCYBW-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide

N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide (PubChem CID 72929497) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
PubChem CID72929497
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESO=C(NCCN1CCC(c2ccccc2)C1)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C22H24N4O/c27-22(19-8-6-18(7-9-19)21-10-12-24-25-21)23-13-15-26-14-11-20(16-26)17-4-2-1-3-5-17/h1-10,12,20H,11,13-16H2,(H,23,27)(H,24,25)
InChIKeyYEUDDFVIWOCYBW-UHFFFAOYSA-N
XLogP3.30
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide (CID 72929497) is N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide is O=C(NCCN1CCC(c2ccccc2)C1)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide?
The InChIKey is YEUDDFVIWOCYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(19-8-6-18(7-9-19)21-10-12-24-25-21)23-13-15-26-14-11-20(16-26)17-4-2-1-3-5-17/h1-10,12,20H,11,13-16H2,(H,23,27)(H,24,25).
What are the key properties of N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide?
N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 72929497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).