N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide

C19H23N3O2 — CID 70716884

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2oc3c(C)c(C)ccc3c2C)cn1
InChIInChI=1S/C19H23N3O2/c1-6-22-11-15(9-20-22)10-21(5)19(23)18-14(4)16-8-7-12(2)13(3)17(16)24-18/h7-9,11H,6,10H2,1-5H3
InChIKeyCYZHWSGCCMCNKP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.85
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide (PubChem CID 70716884) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide
PubChem CID70716884
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2oc3c(C)c(C)ccc3c2C)cn1
InChIInChI=1S/C19H23N3O2/c1-6-22-11-15(9-20-22)10-21(5)19(23)18-14(4)16-8-7-12(2)13(3)17(16)24-18/h7-9,11H,6,10H2,1-5H3
InChIKeyCYZHWSGCCMCNKP-UHFFFAOYSA-N
XLogP3.85
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2-hydroxy-1-naphthyl)methylene]-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 135401433
(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-fluoro-N,3-dimethyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 24794222
(4-Pyridin-4-ylpiperazin-1-yl)-(3,6,7-trimethyl-1-benzofuran-2-yl)methanone
CID 24790313
7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 24792956
3,6,7-trimethyl-N-(4-pyridinylmethyl)-N-(tetrahydro-2-furanylmethyl)-1-benzofuran-2-carboxamide
CID 24794236
N-[2-(dimethylamino)ethyl]-4-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide
CID 49778193
[5-(2,4-Difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
CID 56834430
[5-(4-Methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone
CID 56834530
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylfuran-2-carboxamide
CID 31852227
1-Benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone
CID 51094774

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide (CID 70716884) is N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide is CCn1cc(CN(C)C(=O)c2oc3c(C)c(C)ccc3c2C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide?
The InChIKey is CYZHWSGCCMCNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-6-22-11-15(9-20-22)10-21(5)19(23)18-14(4)16-8-7-12(2)13(3)17(16)24-18/h7-9,11H,6,10H2,1-5H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N,3,6,7-tetramethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70716884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).