N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C27H24N4O2 — CID 27864271

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C27H24N4O2/c32-25-15-8-16-30(25)24-14-7-11-21(17-24)27(33)28-18-22-19-31(23-12-5-2-6-13-23)29-26(22)20-9-3-1-4-10-20/h1-7,9-14,17,19H,8,15-16,18H2,(H,28,33)
InChIKeyQRRUQPQKVQQXGX-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.60
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 27864271) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID27864271
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C27H24N4O2/c32-25-15-8-16-30(25)24-14-7-11-21(17-24)27(33)28-18-22-19-31(23-12-5-2-6-13-23)29-26(22)20-9-3-1-4-10-20/h1-7,9-14,17,19H,8,15-16,18H2,(H,28,33)
InChIKeyQRRUQPQKVQQXGX-UHFFFAOYSA-N
XLogP4.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26424816
3-(1,3-dioxoisoindol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19288807
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide
CID 24548704
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 3244167
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290273
N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317766

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 27864271) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is QRRUQPQKVQQXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-25-15-8-16-30(25)24-14-7-11-21(17-24)27(33)28-18-22-19-31(23-12-5-2-6-13-23)29-26(22)20-9-3-1-4-10-20/h1-7,9-14,17,19H,8,15-16,18H2,(H,28,33).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 436.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 27864271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).