trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

C25H27N3O3 — CID 11921763

IUPACtrans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-16-22(17(2)27(3)26-16)14-28(13-18-9-10-23-24(11-18)31-15-30-23)25(29)21-12-20(21)19-7-5-4-6-8-19/h4-11,20-21H,12-15H2,1-3H3/t20-,21+/m0/s1
InChIKeyNYTSNHBZSRFDPR-LEWJYISDSA-N
MW417.51 g/mol
LogP4.10
Rot. Bonds6

About trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 11921763) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID11921763
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Nametrans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C25H27N3O3/c1-16-22(17(2)27(3)26-16)14-28(13-18-9-10-23-24(11-18)31-15-30-23)25(29)21-12-20(21)19-7-5-4-6-8-19/h4-11,20-21H,12-15H2,1-3H3/t20-,21+/m0/s1
InChIKeyNYTSNHBZSRFDPR-LEWJYISDSA-N
XLogP4.10
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 42793444
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 2862795
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylcyclopropane-1-carboxamide
CID 4122907
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
trans-(1R,2R)-2-[1,3-benzodioxol-5-ylmethyl(2-methoxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 125131926
N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 42791934
trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-yl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 96510318
N-(1,3-benzodioxol-5-ylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethyl-2-oxoacetamide
CID 55446485
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 98786905
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51314651
N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55650103
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 11921763) is trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is Cc1nn(C)c(C)c1CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is NYTSNHBZSRFDPR-LEWJYISDSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-16-22(17(2)27(3)26-16)14-28(13-18-9-10-23-24(11-18)31-15-30-23)25(29)21-12-20(21)19-7-5-4-6-8-19/h4-11,20-21H,12-15H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 11921763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).