5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide

C16H17N3O3 — CID 51108323

IUPAC5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1cccc2c1OCCO2)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H17N3O3/c20-16(13-8-12(18-19-13)10-4-5-10)17-9-11-2-1-3-14-15(11)22-7-6-21-14/h1-3,8,10H,4-7,9H2,(H,17,20)(H,18,19)
InChIKeyLOJZVJVHCBVOSB-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.99
Rot. Bonds4

About 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 51108323) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID51108323
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1cccc2c1OCCO2)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H17N3O3/c20-16(13-8-12(18-19-13)10-4-5-10)17-9-11-2-1-3-14-15(11)22-7-6-21-14/h1-3,8,10H,4-7,9H2,(H,17,20)(H,18,19)
InChIKeyLOJZVJVHCBVOSB-UHFFFAOYSA-N
XLogP1.99
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide
CID 94179713
5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 37292469
5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 166233960
5-cyclopropyl-N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 91632313
5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 46642727
(2S,4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120639573
5-cyclopropyl-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119500515
3-amino-N-(1,3-benzodioxol-4-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115245
5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 20918125
1-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)methanamine
CID 43583314
5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
CID 46481157
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide (CID 51108323) is 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide is O=C(NCc1cccc2c1OCCO2)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is LOJZVJVHCBVOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-16(13-8-12(18-19-13)10-4-5-10)17-9-11-2-1-3-14-15(11)22-7-6-21-14/h1-3,8,10H,4-7,9H2,(H,17,20)(H,18,19).
What are the key properties of 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 51108323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).