7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide

C21H24ClN3O2 — CID 25489857

IUPAC7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(Cc3c(C)nn(C)c3C)C3CC3)c(C)c2c1
InChIInChI=1S/C21H24ClN3O2/c1-11-8-16-12(2)19(27-20(16)18(22)9-11)21(26)25(15-6-7-15)10-17-13(3)23-24(5)14(17)4/h8-9,15H,6-7,10H2,1-5H3
InChIKeyHREGLFJZSDUUIG-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.86
Rot. Bonds4

About 7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide

7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 25489857) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID25489857
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(Cc3c(C)nn(C)c3C)C3CC3)c(C)c2c1
InChIInChI=1S/C21H24ClN3O2/c1-11-8-16-12(2)19(27-20(16)18(22)9-11)21(26)25(15-6-7-15)10-17-13(3)23-24(5)14(17)4/h8-9,15H,6-7,10H2,1-5H3
InChIKeyHREGLFJZSDUUIG-UHFFFAOYSA-N
XLogP4.86
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide (CID 25489857) is 7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide is Cc1cc(Cl)c2oc(C(=O)N(Cc3c(C)nn(C)c3C)C3CC3)c(C)c2c1.
What is the InChIKey of 7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is HREGLFJZSDUUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-11-8-16-12(2)19(27-20(16)18(22)9-11)21(26)25(15-6-7-15)10-17-13(3)23-24(5)14(17)4/h8-9,15H,6-7,10H2,1-5H3.
What are the key properties of 7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25489857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).