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

C14H18N4O2 — CID 104616207

IUPAC2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cccc(OC)c2N)n[nH]1
InChIInChI=1S/C14H18N4O2/c1-3-5-9-8-12(18-17-9)16-14(19)10-6-4-7-11(20-2)13(10)15/h4,6-8H,3,5,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyPWDVLPOXUUUXJW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds5

About 2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide

2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 104616207) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID104616207
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cccc(OC)c2N)n[nH]1
InChIInChI=1S/C14H18N4O2/c1-3-5-9-8-12(18-17-9)16-14(19)10-6-4-7-11(20-2)13(10)15/h4,6-8H,3,5,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyPWDVLPOXUUUXJW-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-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
4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104783240
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988
3-methoxy-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619852
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 104616213
2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 104616215
5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 107185838
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 104616207) is 2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2cccc(OC)c2N)n[nH]1.
What is the InChIKey of 2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is PWDVLPOXUUUXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-5-9-8-12(18-17-9)16-14(19)10-6-4-7-11(20-2)13(10)15/h4,6-8H,3,5,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
2-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 2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104616207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).