4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C14H18N4O2 — CID 104783240

IUPAC4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccc(N)c(OC)c2)n[nH]1
InChIInChI=1S/C14H18N4O2/c1-3-4-10-8-13(18-17-10)16-14(19)9-5-6-11(15)12(7-9)20-2/h5-8H,3-4,15H2,1-2H3,(H2,16,17,18,19)
InChIKeySYORZXAHPJILFY-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds5

About 4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide

4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 104783240) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID104783240
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccc(N)c(OC)c2)n[nH]1
InChIInChI=1S/C14H18N4O2/c1-3-4-10-8-13(18-17-10)16-14(19)9-5-6-11(15)12(7-9)20-2/h5-8H,3-4,15H2,1-2H3,(H2,16,17,18,19)
InChIKeySYORZXAHPJILFY-UHFFFAOYSA-N
XLogP2.21
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619852
2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616207
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
2-(aminomethyl)-N-(5-propyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618234
2-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-4-carboxamide
CID 113257565
4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619793
3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 104616103
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616145
3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616231
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 104618246

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 104783240) is 4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2ccc(N)c(OC)c2)n[nH]1.
What is the InChIKey of 4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is SYORZXAHPJILFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-4-10-8-13(18-17-10)16-14(19)9-5-6-11(15)12(7-9)20-2/h5-8H,3-4,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104783240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).