1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide

C22H27ClN4O2 — CID 24785862

IUPAC1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCNCC2)nn1Cc1cc(Cl)cc2cc(C(C)C)oc12
InChIInChI=1S/C22H27ClN4O2/c1-13(2)20-11-15-9-17(23)10-16(21(15)29-20)12-27-14(3)8-19(26-27)22(28)25-18-4-6-24-7-5-18/h8-11,13,18,24H,4-7,12H2,1-3H3,(H,25,28)
InChIKeyIZEMWQORPQBUOS-UHFFFAOYSA-N
MW414.94 g/mol
LogP4.24
Rot. Bonds5

About 1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide

1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide (PubChem CID 24785862) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide
PubChem CID24785862
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCNCC2)nn1Cc1cc(Cl)cc2cc(C(C)C)oc12
InChIInChI=1S/C22H27ClN4O2/c1-13(2)20-11-15-9-17(23)10-16(21(15)29-20)12-27-14(3)8-19(26-27)22(28)25-18-4-6-24-7-5-18/h8-11,13,18,24H,4-7,12H2,1-3H3,(H,25,28)
InChIKeyIZEMWQORPQBUOS-UHFFFAOYSA-N
XLogP4.24
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide (CID 24785862) is 1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCNCC2)nn1Cc1cc(Cl)cc2cc(C(C)C)oc12.
What is the InChIKey of 1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide?
The InChIKey is IZEMWQORPQBUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-13(2)20-11-15-9-17(23)10-16(21(15)29-20)12-27-14(3)8-19(26-27)22(28)25-18-4-6-24-7-5-18/h8-11,13,18,24H,4-7,12H2,1-3H3,(H,25,28).
What are the key properties of 1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide?
1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 24785862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).