N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide

C18H21N3O3 — CID 94819757

IUPACN-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)n(C)n1
InChIInChI=1S/C18H21N3O3/c1-11-9-14(21(2)20-11)18(22)19-17(12-3-4-12)13-5-6-15-16(10-13)24-8-7-23-15/h5-6,9-10,12,17H,3-4,7-8H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyFWOZYOQYOYJNGV-QGZVFWFLSA-N
MW327.38 g/mol
LogP2.38
Rot. Bonds4

About N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 94819757) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID94819757
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)n(C)n1
InChIInChI=1S/C18H21N3O3/c1-11-9-14(21(2)20-11)18(22)19-17(12-3-4-12)13-5-6-15-16(10-13)24-8-7-23-15/h5-6,9-10,12,17H,3-4,7-8H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyFWOZYOQYOYJNGV-QGZVFWFLSA-N
XLogP2.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 96567639
3-tert-butyl-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 136544379
(E)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 52511073
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-propan-2-ylbenzamide
CID 55919900
N-(dicyclopropylmethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 87024266
(2S)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-methylbutanamide
CID 94798479
4-[[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182242
cis-(1S,2R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95238057
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 119037365
1-benzhydryl-3-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]urea
CID 60542651
2-[2-[[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 51966847
N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-fluoro-5-methylsulfonylbenzamide
CID 97001078

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 94819757) is N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)n(C)n1.
What is the InChIKey of N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is FWOZYOQYOYJNGV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-9-14(21(2)20-11)18(22)19-17(12-3-4-12)13-5-6-15-16(10-13)24-8-7-23-15/h5-6,9-10,12,17H,3-4,7-8H2,1-2H3,(H,19,22)/t17-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 94819757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).