N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide

C25H26N4O2 — CID 5330953

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CCC2c2ccccc2)cc1
InChIInChI=1S/C25H26N4O2/c1-16(25(31)26-23-15-21(27-28-23)18-7-8-18)17-9-11-20(12-10-17)29-22(13-14-24(29)30)19-5-3-2-4-6-19/h2-6,9-12,15-16,18,22H,7-8,13-14H2,1H3,(H2,26,27,28,31)
InChIKeyNUXNHYJNSHRNAN-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.90
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide (PubChem CID 5330953) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide
PubChem CID5330953
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CCC2c2ccccc2)cc1
InChIInChI=1S/C25H26N4O2/c1-16(25(31)26-23-15-21(27-28-23)18-7-8-18)17-9-11-20(12-10-17)29-22(13-14-24(29)30)19-5-3-2-4-6-19/h2-6,9-12,15-16,18,22H,7-8,13-14H2,1H3,(H2,26,27,28,31)
InChIKeyNUXNHYJNSHRNAN-UHFFFAOYSA-N
XLogP4.90
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide (CID 5330953) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide is CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2C(=O)CCC2c2ccccc2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is NUXNHYJNSHRNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16(25(31)26-23-15-21(27-28-23)18-7-8-18)17-9-11-20(12-10-17)29-22(13-14-24(29)30)19-5-3-2-4-6-19/h2-6,9-12,15-16,18,22H,7-8,13-14H2,1H3,(H2,26,27,28,31).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 414.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 5330953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).