1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide

C23H23N3O3 — CID 55547687

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C23H23N3O3/c27-22(24-21-10-13-26(25-21)18-6-2-1-3-7-18)23(11-4-5-12-23)17-8-9-19-20(16-17)29-15-14-28-19/h1-3,6-10,13,16H,4-5,11-12,14-15H2,(H,24,25,27)
InChIKeyVVKQQCYNCONSOO-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.09
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 55547687) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide
PubChem CID55547687
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C23H23N3O3/c27-22(24-21-10-13-26(25-21)18-6-2-1-3-7-18)23(11-4-5-12-23)17-8-9-19-20(16-17)29-15-14-28-19/h1-3,6-10,13,16H,4-5,11-12,14-15H2,(H,24,25,27)
InChIKeyVVKQQCYNCONSOO-UHFFFAOYSA-N
XLogP4.09
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315796
N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55451344
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 25332750
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-phenylpyrazol-3-yl)benzamide
CID 55566549
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 46483063
1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134596279
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134596485
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 113198662
N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589086
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 31816680
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 55780223

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide (CID 55547687) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide is O=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is VVKQQCYNCONSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(24-21-10-13-26(25-21)18-6-2-1-3-7-18)23(11-4-5-12-23)17-8-9-19-20(16-17)29-15-14-28-19/h1-3,6-10,13,16H,4-5,11-12,14-15H2,(H,24,25,27).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-phenylpyrazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55547687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).