3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide

C14H18N4O2 — CID 81089888

IUPAC3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NCCn2cccn2)c1
InChIInChI=1S/C14H18N4O2/c1-2-20-13-9-11(8-12(15)10-13)14(19)16-5-7-18-6-3-4-17-18/h3-4,6,8-10H,2,5,7,15H2,1H3,(H,16,19)
InChIKeyOEAFQFGRDNDHPN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.29
Rot. Bonds6

About 3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide

3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 81089888) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID81089888
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NCCn2cccn2)c1
InChIInChI=1S/C14H18N4O2/c1-2-20-13-9-11(8-12(15)10-13)14(19)16-5-7-18-6-3-4-17-18/h3-4,6,8-10H,2,5,7,15H2,1H3,(H,16,19)
InChIKeyOEAFQFGRDNDHPN-UHFFFAOYSA-N
XLogP1.29
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 81090055
2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 61459957
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
3-amino-5-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413376
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 62178675
3,4-dihydroxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 103956702

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide (CID 81089888) is 3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide is CCOc1cc(N)cc(C(=O)NCCn2cccn2)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is OEAFQFGRDNDHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-20-13-9-11(8-12(15)10-13)14(19)16-5-7-18-6-3-4-17-18/h3-4,6,8-10H,2,5,7,15H2,1H3,(H,16,19).
What are the key properties of 3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide?
3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 81089888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).