4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide

C18H24N4O2 — CID 51094234

IUPAC4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide
SMILESCC(C)c1cc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-11(2)14-10-15(22-21-14)19-16(23)12-6-8-13(9-7-12)17(24)20-18(3,4)5/h6-11H,1-5H3,(H,20,24)(H2,19,21,22,23)
InChIKeyLOZYJGMXNXRKBH-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.31
Rot. Bonds4

About 4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide (PubChem CID 51094234) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide
PubChem CID51094234
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide
SMILESCC(C)c1cc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-11(2)14-10-15(22-21-14)19-16(23)12-6-8-13(9-7-12)17(24)20-18(3,4)5/h6-11H,1-5H3,(H,20,24)(H2,19,21,22,23)
InChIKeyLOZYJGMXNXRKBH-UHFFFAOYSA-N
XLogP3.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide (CID 51094234) is 4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide is CC(C)c1cc(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)n[nH]1.
What is the InChIKey of 4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide?
The InChIKey is LOZYJGMXNXRKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)14-10-15(22-21-14)19-16(23)12-6-8-13(9-7-12)17(24)20-18(3,4)5/h6-11H,1-5H3,(H,20,24)(H2,19,21,22,23).
What are the key properties of 4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 51094234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).