3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide

C22H24N4O — CID 167898904

IUPAC3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H24N4O/c27-22(20-15-19(24-25-20)17-9-3-1-4-10-17)23-16-21(26-13-7-8-14-26)18-11-5-2-6-12-18/h1-6,9-12,15,21H,7-8,13-14,16H2,(H,23,27)(H,24,25)
InChIKeyAGUHTPQVQHRYGB-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.64
Rot. Bonds6

About 3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide

3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 167898904) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID167898904
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H24N4O/c27-22(20-15-19(24-25-20)17-9-3-1-4-10-17)23-16-21(26-13-7-8-14-26)18-11-5-2-6-12-18/h1-6,9-12,15,21H,7-8,13-14,16H2,(H,23,27)(H,24,25)
InChIKeyAGUHTPQVQHRYGB-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 41037776
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CID 167854067
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732701
4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 126448553
N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131895345
3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 131895533
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37167600
N-(4-hydroxy-3,3-dimethyl-2-phenylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 126775116
6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591877
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide (CID 167898904) is 3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide is O=C(NCC(c1ccccc1)N1CCCC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is AGUHTPQVQHRYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(20-15-19(24-25-20)17-9-3-1-4-10-17)23-16-21(26-13-7-8-14-26)18-11-5-2-6-12-18/h1-6,9-12,15,21H,7-8,13-14,16H2,(H,23,27)(H,24,25).
What are the key properties of 3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167898904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).