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

C17H21N3O2 — CID 110389101

IUPAC1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1nn(C)c2c1CCC2
InChIInChI=1S/C17H21N3O2/c1-11(2)22-15-10-5-4-8-13(15)18-17(21)16-12-7-6-9-14(12)20(3)19-16/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyWFEKMUUEFHKLJQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.95
Rot. Bonds4

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

1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110389101) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID110389101
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1nn(C)c2c1CCC2
InChIInChI=1S/C17H21N3O2/c1-11(2)22-15-10-5-4-8-13(15)18-17(21)16-12-7-6-9-14(12)20(3)19-16/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyWFEKMUUEFHKLJQ-UHFFFAOYSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389064
N-(2-chlorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389083
1-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389080
N-(2,4-dimethylphenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389070
N-(2,4-difluorophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389134
1-methyl-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389066
N-(4-bromophenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389093
4-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 110860342
1-N-propan-2-yl-3-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072521
N-(3-bromo-4-methylphenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389094
3-N-tert-butyl-1-N-(2-propan-2-yloxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076887
1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24592437

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 110389101) is 1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CC(C)Oc1ccccc1NC(=O)c1nn(C)c2c1CCC2.
What is the InChIKey of 1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is WFEKMUUEFHKLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11(2)22-15-10-5-4-8-13(15)18-17(21)16-12-7-6-9-14(12)20(3)19-16/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,18,21).
What are the key properties of 1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-propan-2-yloxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110389101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).