2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide

C14H18N4O3 — CID 104616629

IUPAC2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C14H18N4O3/c1-4-8-7-16-18-13(8)17-14(19)10-5-9(20-2)6-11(21-3)12(10)15/h5-7H,4,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyLRAHCJHPYIDRBM-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.82
Rot. Bonds5

About 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide

2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide (PubChem CID 104616629) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide
PubChem CID104616629
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C14H18N4O3/c1-4-8-7-16-18-13(8)17-14(19)10-5-9(20-2)6-11(21-3)12(10)15/h5-7H,4,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyLRAHCJHPYIDRBM-UHFFFAOYSA-N
XLogP1.82
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616600
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616630
N-(4-ethyl-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 115680812
2-amino-3,5-dimethoxy-N-(3-methylpentan-3-yl)benzamide
CID 106327779
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 112606083
2-amino-3,5-dimethoxy-N-(3-methylpentan-2-yl)benzamide
CID 115950600
2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 115950747
2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide
CID 115950780
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
2-hydroxy-5-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691144

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide (CID 104616629) is 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide is CCc1cn[nH]c1NC(=O)c1cc(OC)cc(OC)c1N.
What is the InChIKey of 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide?
The InChIKey is LRAHCJHPYIDRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-8-7-16-18-13(8)17-14(19)10-5-9(20-2)6-11(21-3)12(10)15/h5-7H,4,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide?
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide has a molecular weight of 290.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 104616629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).