5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide

C23H28N4O2 — CID 55782818

IUPAC5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)c1cnn(-c2ccccn2)c1C(C)C
InChIInChI=1S/C23H28N4O2/c1-14(2)21-17(13-25-27(21)20-8-6-7-9-24-20)22(28)26-18-11-23(4,5)12-19-16(18)10-15(3)29-19/h6-10,13-14,18H,11-12H2,1-5H3,(H,26,28)
InChIKeyDYRJSULVFFLDJR-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.74
Rot. Bonds4

About 5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide

5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide (PubChem CID 55782818) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide
PubChem CID55782818
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)c1cnn(-c2ccccn2)c1C(C)C
InChIInChI=1S/C23H28N4O2/c1-14(2)21-17(13-25-27(21)20-8-6-7-9-24-20)22(28)26-18-11-23(4,5)12-19-16(18)10-15(3)29-19/h6-10,13-14,18H,11-12H2,1-5H3,(H,26,28)
InChIKeyDYRJSULVFFLDJR-UHFFFAOYSA-N
XLogP4.74
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
5-oxo-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 52516527
2-bromo-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 106853310
ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
CID 46429270
N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126808071
1-methyl-3-(trifluoromethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide
CID 87020450
N-phenyl-4-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 55909796
5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide
CID 126824859
2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 62491984
2-(1-oxophthalazin-2-yl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 55782784
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427210
5-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55651429

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide (CID 55782818) is 5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)c1cnn(-c2ccccn2)c1C(C)C.
What is the InChIKey of 5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide?
The InChIKey is DYRJSULVFFLDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-14(2)21-17(13-25-27(21)20-8-6-7-9-24-20)22(28)26-18-11-23(4,5)12-19-16(18)10-15(3)29-19/h6-10,13-14,18H,11-12H2,1-5H3,(H,26,28).
What are the key properties of 5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide?
5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-pyridin-2-yl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 55782818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).