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

C26H28ClN3O2 — CID 60570658

IUPACN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)c3c2CCC3)cc1
InChIInChI=1S/C26H28ClN3O2/c1-18-8-10-21(11-9-18)30-23-7-3-6-22(23)24(29-30)25(31)28-17-26(12-14-32-15-13-26)19-4-2-5-20(27)16-19/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3,(H,28,31)
InChIKeyDAUJKWNNKSPBNY-UHFFFAOYSA-N
MW449.98 g/mol
LogP4.80
Rot. Bonds5

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

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 60570658) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID60570658
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)c3c2CCC3)cc1
InChIInChI=1S/C26H28ClN3O2/c1-18-8-10-21(11-9-18)30-23-7-3-6-22(23)24(29-30)25(31)28-17-26(12-14-32-15-13-26)19-4-2-5-20(27)16-19/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3,(H,28,31)
InChIKeyDAUJKWNNKSPBNY-UHFFFAOYSA-N
XLogP4.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 51091950
N-(2-anilino-2-oxoethyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55957907
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride
CID 120891092
N-[2-(4-aminophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119547507
1-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37030789
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55597509
3-[[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]propanoic acid
CID 119351217
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948249
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008870
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 60570658) is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)c3c2CCC3)cc1.
What is the InChIKey of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is DAUJKWNNKSPBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c1-18-8-10-21(11-9-18)30-23-7-3-6-22(23)24(29-30)25(31)28-17-26(12-14-32-15-13-26)19-4-2-5-20(27)16-19/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3,(H,28,31).
What are the key properties of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 449.98 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 60570658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).