7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide

C17H18ClN3O2 — CID 24817193

IUPAC7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(C)Cc3cc(C)[nH]n3)c(C)c2c1
InChIInChI=1S/C17H18ClN3O2/c1-9-5-13-11(3)15(23-16(13)14(18)6-9)17(22)21(4)8-12-7-10(2)19-20-12/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyCALOQYWXRTYYMK-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.01
Rot. Bonds3

About 7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide

7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 24817193) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID24817193
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(C)Cc3cc(C)[nH]n3)c(C)c2c1
InChIInChI=1S/C17H18ClN3O2/c1-9-5-13-11(3)15(23-16(13)14(18)6-9)17(22)21(4)8-12-7-10(2)19-20-12/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyCALOQYWXRTYYMK-UHFFFAOYSA-N
XLogP4.01
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide (CID 24817193) is 7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide is Cc1cc(Cl)c2oc(C(=O)N(C)Cc3cc(C)[nH]n3)c(C)c2c1.
What is the InChIKey of 7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is CALOQYWXRTYYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-9-5-13-11(3)15(23-16(13)14(18)6-9)17(22)21(4)8-12-7-10(2)19-20-12/h5-7H,8H2,1-4H3,(H,19,20).
What are the key properties of 7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide?
7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,3,5-trimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24817193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).