N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide

C24H27N3O4 — CID 55871721

IUPACN-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c(OC)c1OC
InChIInChI=1S/C24H27N3O4/c1-29-20-14-12-16(22(30-2)23(20)31-3)13-15-21(28)25-24-18-10-7-11-19(18)26-27(24)17-8-5-4-6-9-17/h4-6,8-9,12,14H,7,10-11,13,15H2,1-3H3,(H,25,28)
InChIKeyVUUBELOKSDZXMI-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.96
Rot. Bonds8

About N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide

N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 55871721) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID55871721
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c(OC)c1OC
InChIInChI=1S/C24H27N3O4/c1-29-20-14-12-16(22(30-2)23(20)31-3)13-15-21(28)25-24-18-10-7-11-19(18)26-27(24)17-8-5-4-6-9-17/h4-6,8-9,12,14H,7,10-11,13,15H2,1-3H3,(H,25,28)
InChIKeyVUUBELOKSDZXMI-UHFFFAOYSA-N
XLogP3.96
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-ethoxyphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)butanamide
CID 30007210
2-(2-ethylphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 55412161
3-chloro-4,5-dimethoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007405
2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 51078002
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide
CID 3563915
2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 4622423
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 55475575
2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 30007516
3-(2-methoxyphenoxy)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
CID 75418072
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
N-[(1-phenylpyrrolidin-2-yl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 90619835
N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119440825

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide (CID 55871721) is N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c(OC)c1OC.
What is the InChIKey of N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is VUUBELOKSDZXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-29-20-14-12-16(22(30-2)23(20)31-3)13-15-21(28)25-24-18-10-7-11-19(18)26-27(24)17-8-5-4-6-9-17/h4-6,8-9,12,14H,7,10-11,13,15H2,1-3H3,(H,25,28).
What are the key properties of N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide?
N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 421.50 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55871721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).