4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide

C14H17N3O2 — CID 19332280

IUPAC4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C14H17N3O2/c1-19-13-6-4-12(5-7-13)14(18)15-8-2-10-17-11-3-9-16-17/h3-7,9,11H,2,8,10H2,1H3,(H,15,18)
InChIKeyOMKMOLKATBRBEP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.71
Rot. Bonds6

About 4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide

4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 19332280) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID19332280
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C14H17N3O2/c1-19-13-6-4-12(5-7-13)14(18)15-8-2-10-17-11-3-9-16-17/h3-7,9,11H,2,8,10H2,1H3,(H,15,18)
InChIKeyOMKMOLKATBRBEP-UHFFFAOYSA-N
XLogP1.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884917
4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 779459
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
CID 910410
4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzaldehyde
CID 795473
3-(4-methoxyphenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 1244077
4-({1-[(dimethylamino)sulfonyl]-4-piperidinyl}oxy)-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 16187695
4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
CID 16191083
1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-[4-(1-pyrrolidinylcarbonyl)phenoxy]piperidine
CID 24791615

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide (CID 19332280) is 4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide is COc1ccc(C(=O)NCCCn2cccn2)cc1.
What is the InChIKey of 4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is OMKMOLKATBRBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-13-6-4-12(5-7-13)14(18)15-8-2-10-17-11-3-9-16-17/h3-7,9,11H,2,8,10H2,1H3,(H,15,18).
What are the key properties of 4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 19332280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).