1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C26H27N5O2 — CID 56568622

IUPAC1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)c2c1CCC2
InChIInChI=1S/C26H27N5O2/c1-15(2)24-28-26(33-30-24)19-12-7-10-17(4)22(19)27-25(32)23-18-11-8-14-21(18)31(29-23)20-13-6-5-9-16(20)3/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3,(H,27,32)
InChIKeyLZQNOUVHPOUWAG-UHFFFAOYSA-N
MW441.54 g/mol
LogP5.40
Rot. Bonds5

About 1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 56568622) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID56568622
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)c2c1CCC2
InChIInChI=1S/C26H27N5O2/c1-15(2)24-28-26(33-30-24)19-12-7-10-17(4)22(19)27-25(32)23-18-11-8-14-21(18)31(29-23)20-13-6-5-9-16(20)3/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3,(H,27,32)
InChIKeyLZQNOUVHPOUWAG-UHFFFAOYSA-N
XLogP5.40
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide with MolForge

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Related Compounds

4-N-tert-butyl-1-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzene-1,4-dicarboxamide
CID 56568237
(2R)-3-methyl-2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119368106
1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 56568236
tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate
CID 56568370
3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 56568105
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126818881
N-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]formamide
CID 125419556
N-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17442022
N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide
CID 56568362
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 122158695
2-(3-methylphenyl)-3-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 167845914
N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 56568622) is 1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2-c2nc(C(C)C)no2)c2c1CCC2.
What is the InChIKey of 1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is LZQNOUVHPOUWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-15(2)24-28-26(33-30-24)19-12-7-10-17(4)22(19)27-25(32)23-18-11-8-14-21(18)31(29-23)20-13-6-5-9-16(20)3/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3,(H,27,32).
What are the key properties of 1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 56568622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).