3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide

C19H23N3O2 — CID 24793128

IUPAC3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)NCCc3cnn(C)c3)c(C)c2c1
InChIInChI=1S/C19H23N3O2/c1-4-5-14-6-7-17-16(10-14)13(2)18(24-17)19(23)20-9-8-15-11-21-22(3)12-15/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,20,23)
InChIKeyDQTNUKZJLQGQHT-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.40
Rot. Bonds6

About 3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide

3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide (PubChem CID 24793128) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide
PubChem CID24793128
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)NCCc3cnn(C)c3)c(C)c2c1
InChIInChI=1S/C19H23N3O2/c1-4-5-14-6-7-17-16(10-14)13(2)18(24-17)19(23)20-9-8-15-11-21-22(3)12-15/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,20,23)
InChIKeyDQTNUKZJLQGQHT-UHFFFAOYSA-N
XLogP3.40
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide (CID 24793128) is 3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide is CCCc1ccc2oc(C(=O)NCCc3cnn(C)c3)c(C)c2c1.
What is the InChIKey of 3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide?
The InChIKey is DQTNUKZJLQGQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-5-14-6-7-17-16(10-14)13(2)18(24-17)19(23)20-9-8-15-11-21-22(3)12-15/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,20,23).
What are the key properties of 3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide?
3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24793128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).