1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C23H20N4O2 — CID 87046834

IUPAC1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccc(-c4cnco4)cc3)c3c2CCC3)cc1
InChIInChI=1S/C23H20N4O2/c1-15-5-11-18(12-6-15)27-20-4-2-3-19(20)22(26-27)23(28)25-17-9-7-16(8-10-17)21-13-24-14-29-21/h5-14H,2-4H2,1H3,(H,25,28)
InChIKeySXNKQYBXDCLCLF-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.58
Rot. Bonds4

About 1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 87046834) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID87046834
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccc(-c4cnco4)cc3)c3c2CCC3)cc1
InChIInChI=1S/C23H20N4O2/c1-15-5-11-18(12-6-15)27-20-4-2-3-19(20)22(26-27)23(28)25-17-9-7-16(8-10-17)21-13-24-14-29-21/h5-14H,2-4H2,1H3,(H,25,28)
InChIKeySXNKQYBXDCLCLF-UHFFFAOYSA-N
XLogP4.58
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389066
1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37024627
N-(2-anilino-2-oxoethyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55957907
1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37353093
(4-acetamidophenyl) 1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 37020487
1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46468575
N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55891896
1-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55492659
1-(4-fluorophenyl)-N-[4-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 17423592
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
N-(5-amino-2-methylphenyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 120568710
1-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37030789

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 87046834) is 1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)Nc3ccc(-c4cnco4)cc3)c3c2CCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is SXNKQYBXDCLCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-5-11-18(12-6-15)27-20-4-2-3-19(20)22(26-27)23(28)25-17-9-7-16(8-10-17)21-13-24-14-29-21/h5-14H,2-4H2,1H3,(H,25,28).
What are the key properties of 1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 87046834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).