7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide

C18H20ClN3O2 — CID 24792956

IUPAC7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(C)CCc3cnn(C)c3)c(C)c2c1
InChIInChI=1S/C18H20ClN3O2/c1-11-7-14-12(2)16(24-17(14)15(19)8-11)18(23)21(3)6-5-13-9-20-22(4)10-13/h7-10H,5-6H2,1-4H3
InChIKeyKGRZVCMPYCTGPU-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.75
Rot. Bonds4

About 7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide

7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 24792956) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID24792956
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(C)CCc3cnn(C)c3)c(C)c2c1
InChIInChI=1S/C18H20ClN3O2/c1-11-7-14-12(2)16(24-17(14)15(19)8-11)18(23)21(3)6-5-13-9-20-22(4)10-13/h7-10H,5-6H2,1-4H3
InChIKeyKGRZVCMPYCTGPU-UHFFFAOYSA-N
XLogP3.75
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

(3-methyl-1-benzofuran-2-yl)(4-methyl-1H-pyrazol-1-yl)methanone
CID 1246317
3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide
CID 24793128
(7-Chloro-3,5-dimethylbenzofuran-2-YL)(4-(pyridin-4-YL)piperazin-1-YL)methanone
CID 24793222
7-fluoro-N,3-dimethyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 24794222
CID 24817193
CID 24817193
7-chloro-N,3,5-trimethyl-N-[1-(2-pyridinyl)ethyl]-1-benzofuran-2-carboxamide
CID 24790533
[5-(3-Chlorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
CID 56834426
7-chloro-N-cyclopropyl-3,5-dimethyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 25489857
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide
CID 70716884
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 50965536
7-chloro-4-fluoro-N,N-dimethyl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
CID 176186037
4-fluoro-N-methyl-7-propan-2-yl-N-propyl-5-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
CID 176931565

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide (CID 24792956) is 7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1cc(Cl)c2oc(C(=O)N(C)CCc3cnn(C)c3)c(C)c2c1.
What is the InChIKey of 7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is KGRZVCMPYCTGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-11-7-14-12(2)16(24-17(14)15(19)8-11)18(23)21(3)6-5-13-9-20-22(4)10-13/h7-10H,5-6H2,1-4H3.
What are the key properties of 7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide?
7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24792956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).