4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide

C17H24N4O — CID 86875491

IUPAC4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
SMILESCCc1cc(NC(=O)c2ccc(N(CC)C(C)C)cc2)n[nH]1
InChIInChI=1S/C17H24N4O/c1-5-14-11-16(20-19-14)18-17(22)13-7-9-15(10-8-13)21(6-2)12(3)4/h7-12H,5-6H2,1-4H3,(H2,18,19,20,22)
InChIKeyCVERFRVIBWIHTC-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.46
Rot. Bonds6

About 4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide

4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide (PubChem CID 86875491) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
PubChem CID86875491
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
SMILESCCc1cc(NC(=O)c2ccc(N(CC)C(C)C)cc2)n[nH]1
InChIInChI=1S/C17H24N4O/c1-5-14-11-16(20-19-14)18-17(22)13-7-9-15(10-8-13)21(6-2)12(3)4/h7-12H,5-6H2,1-4H3,(H2,18,19,20,22)
InChIKeyCVERFRVIBWIHTC-UHFFFAOYSA-N
XLogP3.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide (CID 86875491) is 4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide is CCc1cc(NC(=O)c2ccc(N(CC)C(C)C)cc2)n[nH]1.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is CVERFRVIBWIHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-14-11-16(20-19-14)18-17(22)13-7-9-15(10-8-13)21(6-2)12(3)4/h7-12H,5-6H2,1-4H3,(H2,18,19,20,22).
What are the key properties of 4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide?
4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 300.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]-N-(5-ethyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 86875491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).