N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide

C20H29N3O4 — CID 78778639

IUPACN-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccnn2C(C)CC)cc(OCC)c1OCC
InChIInChI=1S/C20H29N3O4/c1-6-14(5)23-18(10-11-21-23)22-20(24)15-12-16(25-7-2)19(27-9-4)17(13-15)26-8-3/h10-14H,6-9H2,1-5H3,(H,22,24)
InChIKeyLSYVQOPMMAXCQQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.30
Rot. Bonds10

About N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide

N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide (PubChem CID 78778639) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
PubChem CID78778639
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccnn2C(C)CC)cc(OCC)c1OCC
InChIInChI=1S/C20H29N3O4/c1-6-14(5)23-18(10-11-21-23)22-20(24)15-12-16(25-7-2)19(27-9-4)17(13-15)26-8-3/h10-14H,6-9H2,1-5H3,(H,22,24)
InChIKeyLSYVQOPMMAXCQQ-UHFFFAOYSA-N
XLogP4.30
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
CID 134049613
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818
N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
CID 134025810
N-(2-butan-2-ylpyrazol-3-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78778466
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
CID 55435038
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613
3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109391
3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182001
N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 78824297

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide (CID 78778639) is N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2ccnn2C(C)CC)cc(OCC)c1OCC.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide?
The InChIKey is LSYVQOPMMAXCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-6-14(5)23-18(10-11-21-23)22-20(24)15-12-16(25-7-2)19(27-9-4)17(13-15)26-8-3/h10-14H,6-9H2,1-5H3,(H,22,24).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide?
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide has a molecular weight of 375.47 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 78778639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).