1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide

C23H24N4O2 — CID 155515150

IUPAC1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H24N4O2/c1-16(17-10-12-19(13-11-17)27-14-6-9-22(27)28)24-23(29)21-15-20(25-26(21)2)18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,24,29)/t16-/m1/s1
InChIKeyHMEORBVCPSGUKE-MRXNPFEDSA-N
MW388.47 g/mol
LogP3.70
Rot. Bonds5

About 1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide

1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 155515150) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide
PubChem CID155515150
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H24N4O2/c1-16(17-10-12-19(13-11-17)27-14-6-9-22(27)28)24-23(29)21-15-20(25-26(21)2)18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,24,29)/t16-/m1/s1
InChIKeyHMEORBVCPSGUKE-MRXNPFEDSA-N
XLogP3.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide (CID 155515150) is 1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide is C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is HMEORBVCPSGUKE-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(17-10-12-19(13-11-17)27-14-6-9-22(27)28)24-23(29)21-15-20(25-26(21)2)18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,24,29)/t16-/m1/s1.
What are the key properties of 1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide?
1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 155515150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).