methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate

C21H19N3O3 — CID 43036706

IUPACmethyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1
InChIInChI=1S/C21H19N3O3/c1-27-21(26)15-12-10-14(11-13-15)20(25)22-19-17-8-5-9-18(17)23-24(19)16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,22,25)
InChIKeyXSRSNZXFGJURAI-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.40
Rot. Bonds4

About methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate

methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate (PubChem CID 43036706) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate
PubChem CID43036706
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Namemethyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1
InChIInChI=1S/C21H19N3O3/c1-27-21(26)15-12-10-14(11-13-15)20(25)22-19-17-8-5-9-18(17)23-24(19)16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,22,25)
InChIKeyXSRSNZXFGJURAI-UHFFFAOYSA-N
XLogP3.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 4802531
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 4802711
Methyl 4-[(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)methyl]benzoate
CID 16027154
2-[5-[(4-Fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate
CID 2320426
methyl 4-({[1-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrazol-3-yl]amino}carbonyl)benzoate
CID 6458805
Methyl 4-[1-(4-ethylphenyl)-3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-E][1,4]thiazepin-4-YL]benzoate
CID 135546830
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] benzoate
CID 4803443
4-carboxyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11509231
4-(3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid
CID 136171269
methyl 4-[4-[(4R,6S)-3,6-dimethyl-1-(2-methylphenyl)-7-oxo-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-4-yl]phenyl]benzoate
CID 136266058
2-(5-Benzamido-3-methylpyrazol-1-yl)ethyl benzoate
CID 2320463
methyl 4-((3-methyl-1-phenyl-1H-pyrazol-5-yl)carbamoyl)benzoate
CID 44051569

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate (CID 43036706) is methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1.
What is the InChIKey of methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate?
The InChIKey is XSRSNZXFGJURAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-21(26)15-12-10-14(11-13-15)20(25)22-19-17-8-5-9-18(17)23-24(19)16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,22,25).
What are the key properties of methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate?
methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate has a molecular weight of 361.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)carbamoyl]benzoate is sourced from PubChem (CID 43036706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).