N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide

C17H23N3O3 — CID 78778552

IUPACN-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccnn2C(C)CC)ccc1OC
InChIInChI=1S/C17H23N3O3/c1-5-12(3)20-16(9-10-18-20)19-17(21)13-7-8-14(22-4)15(11-13)23-6-2/h7-12H,5-6H2,1-4H3,(H,19,21)
InChIKeyYNHIDUHNWTZONY-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.51
Rot. Bonds7

About N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide

N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide (PubChem CID 78778552) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
PubChem CID78778552
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccnn2C(C)CC)ccc1OC
InChIInChI=1S/C17H23N3O3/c1-5-12(3)20-16(9-10-18-20)19-17(21)13-7-8-14(22-4)15(11-13)23-6-2/h7-12H,5-6H2,1-4H3,(H,19,21)
InChIKeyYNHIDUHNWTZONY-UHFFFAOYSA-N
XLogP3.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613
N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
CID 134049613
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818
3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607050
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
CID 134025810
N-(2-butan-2-ylpyrazol-3-yl)-3-(cyanomethylsulfanyl)benzamide
CID 71861067
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 39676955

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide (CID 78778552) is N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)Nc2ccnn2C(C)CC)ccc1OC.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide?
The InChIKey is YNHIDUHNWTZONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-12(3)20-16(9-10-18-20)19-17(21)13-7-8-14(22-4)15(11-13)23-6-2/h7-12H,5-6H2,1-4H3,(H,19,21).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide?
N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide has a molecular weight of 317.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 78778552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).