3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide

C18H18N4O2 — CID 70748016

IUPAC3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide
SMILESO=C(NCCCOc1cccnc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H18N4O2/c23-18(20-9-4-12-24-17-7-2-8-19-14-17)15-5-1-6-16(13-15)22-11-3-10-21-22/h1-3,5-8,10-11,13-14H,4,9,12H2,(H,20,23)
InChIKeyYYTKRARMRYLZMB-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.47
Rot. Bonds7

About 3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide

3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide (PubChem CID 70748016) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide
PubChem CID70748016
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide
SMILESO=C(NCCCOc1cccnc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H18N4O2/c23-18(20-9-4-12-24-17-7-2-8-19-14-17)15-5-1-6-16(13-15)22-11-3-10-21-22/h1-3,5-8,10-11,13-14H,4,9,12H2,(H,20,23)
InChIKeyYYTKRARMRYLZMB-UHFFFAOYSA-N
XLogP2.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 50949722
3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246749
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-pyrazol-1-ylbenzamide
CID 121018531
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
1-methyl-5-oxo-N-(3-pyridin-3-yloxypropyl)-4H-1,2,4-triazole-3-carboxamide
CID 156584225
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide
CID 122326948
N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
CID 110481998
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide?
The IUPAC name of 3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide (CID 70748016) is 3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide?
The canonical SMILES for 3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide is O=C(NCCCOc1cccnc1)c1cccc(-n2cccn2)c1.
What is the InChIKey of 3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide?
The InChIKey is YYTKRARMRYLZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(20-9-4-12-24-17-7-2-8-19-14-17)15-5-1-6-16(13-15)22-11-3-10-21-22/h1-3,5-8,10-11,13-14H,4,9,12H2,(H,20,23).
What are the key properties of 3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide?
3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide is sourced from PubChem (CID 70748016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).