N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide

C19H25N3O3 — CID 18775613

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccnn2C(C)C2CC2)cc1OCC
InChIInChI=1S/C19H25N3O3/c1-4-24-16-9-8-15(12-17(16)25-5-2)19(23)21-18-10-11-20-22(18)13(3)14-6-7-14/h8-14H,4-7H2,1-3H3,(H,21,23)
InChIKeyCNYZDJOVFKPNHR-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.90
Rot. Bonds8

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide (PubChem CID 18775613) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
PubChem CID18775613
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccnn2C(C)C2CC2)cc1OCC
InChIInChI=1S/C19H25N3O3/c1-4-24-16-9-8-15(12-17(16)25-5-2)19(23)21-18-10-11-20-22(18)13(3)14-6-7-14/h8-14H,4-7H2,1-3H3,(H,21,23)
InChIKeyCNYZDJOVFKPNHR-UHFFFAOYSA-N
XLogP3.90
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 112761610
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
CID 8016935
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
3-[[2-(4-bromophenyl)acetyl]amino]-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]benzamide
CID 112823671
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3,4-diethoxybenzoate
CID 8708029
N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide
CID 134014296
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 4794345
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one
CID 83154555
3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid
CID 122090385

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide (CID 18775613) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccnn2C(C)C2CC2)cc1OCC.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide?
The InChIKey is CNYZDJOVFKPNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-24-16-9-8-15(12-17(16)25-5-2)19(23)21-18-10-11-20-22(18)13(3)14-6-7-14/h8-14H,4-7H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide has a molecular weight of 343.43 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide is sourced from PubChem (CID 18775613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).