4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide

C22H24N4O2 — CID 55621665

IUPAC4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c1-28-20-16-26(19-10-6-3-7-11-19)24-21(20)22(27)23-14-17-12-13-25(15-17)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3,(H,23,27)
InChIKeyLDHFBOVFHQJRML-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.14
Rot. Bonds6

About 4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide

4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 55621665) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID55621665
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c1-28-20-16-26(19-10-6-3-7-11-19)24-21(20)22(27)23-14-17-12-13-25(15-17)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3,(H,23,27)
InChIKeyLDHFBOVFHQJRML-UHFFFAOYSA-N
XLogP3.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide (CID 55621665) is 4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is LDHFBOVFHQJRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-20-16-26(19-10-6-3-7-11-19)24-21(20)22(27)23-14-17-12-13-25(15-17)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3,(H,23,27).
What are the key properties of 4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide?
4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55621665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).