1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide

C22H21ClN4O2 — CID 39724992

IUPAC1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C22H21ClN4O2/c23-20-5-2-1-4-17(20)14-26-15-18(13-25-26)22(29)24-12-16-7-9-19(10-8-16)27-11-3-6-21(27)28/h1-2,4-5,7-10,13,15H,3,6,11-12,14H2,(H,24,29)
InChIKeyVAXYYYMGDKYCRJ-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.64
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 39724992) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID39724992
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C22H21ClN4O2/c23-20-5-2-1-4-17(20)14-26-15-18(13-25-26)22(29)24-12-16-7-9-19(10-8-16)27-11-3-6-21(27)28/h1-2,4-5,7-10,13,15H,3,6,11-12,14H2,(H,24,29)
InChIKeyVAXYYYMGDKYCRJ-UHFFFAOYSA-N
XLogP3.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34450094
1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 39724810
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
1-[(2-chlorophenyl)methyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 38123381
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazole-4-carboxamide
CID 51271802
1-[(2-chlorophenyl)methyl]-2-methyl-3-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111175270
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
4-(2-oxopyrrolidin-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17442772
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
1-[(2-chlorophenyl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34584858
N-[[4-benzyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 45200224
2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide
CID 8589010

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide (CID 39724992) is 1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is VAXYYYMGDKYCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-20-5-2-1-4-17(20)14-26-15-18(13-25-26)22(29)24-12-16-7-9-19(10-8-16)27-11-3-6-21(27)28/h1-2,4-5,7-10,13,15H,3,6,11-12,14H2,(H,24,29).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39724992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).