7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide

C17H18ClN3O2 — CID 134021312

IUPAC7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccnn2CC(C)C)oc2c(Cl)cccc12
InChIInChI=1S/C17H18ClN3O2/c1-10(2)9-21-14(7-8-19-21)20-17(22)15-11(3)12-5-4-6-13(18)16(12)23-15/h4-8,10H,9H2,1-3H3,(H,20,22)
InChIKeyFMHSEVLHWIGRDH-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.50
Rot. Bonds4

About 7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide

7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 134021312) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
PubChem CID134021312
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccnn2CC(C)C)oc2c(Cl)cccc12
InChIInChI=1S/C17H18ClN3O2/c1-10(2)9-21-14(7-8-19-21)20-17(22)15-11(3)12-5-4-6-13(18)16(12)23-15/h4-8,10H,9H2,1-3H3,(H,20,22)
InChIKeyFMHSEVLHWIGRDH-UHFFFAOYSA-N
XLogP4.50
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 16546211
7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674253
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 51148672
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
7-chloro-3-methyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1-benzofuran-2-carboxamide
CID 134013580
7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide
CID 8006377
N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16546165
2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 35325113
4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35327495

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide (CID 134021312) is 7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccnn2CC(C)C)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is FMHSEVLHWIGRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-10(2)9-21-14(7-8-19-21)20-17(22)15-11(3)12-5-4-6-13(18)16(12)23-15/h4-8,10H,9H2,1-3H3,(H,20,22).
What are the key properties of 7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 134021312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).