N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide

C21H19N3O2 — CID 55808093

IUPACN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2cnn(-c3ccccc3)c2)oc2ccccc12
InChIInChI=1S/C21H19N3O2/c1-14-18-10-6-7-11-19(18)26-20(14)15(2)23-21(25)16-12-22-24(13-16)17-8-4-3-5-9-17/h3-13,15H,1-2H3,(H,23,25)
InChIKeyDGYUTHCBLXAJGE-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.42
Rot. Bonds4

About N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 55808093) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID55808093
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2cnn(-c3ccccc3)c2)oc2ccccc12
InChIInChI=1S/C21H19N3O2/c1-14-18-10-6-7-11-19(18)26-20(14)15(2)23-21(25)16-12-22-24(13-16)17-8-4-3-5-9-17/h3-13,15H,1-2H3,(H,23,25)
InChIKeyDGYUTHCBLXAJGE-UHFFFAOYSA-N
XLogP4.42
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 112837431
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 112838345
N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46582044
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]quinoline-4-carboxamide
CID 112837432
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
(1S)-N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 97230556
N-(1-chlorobutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 114294313
N-[1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 24625573
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 51646823

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide (CID 55808093) is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide is Cc1c(C(C)NC(=O)c2cnn(-c3ccccc3)c2)oc2ccccc12.
What is the InChIKey of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is DGYUTHCBLXAJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-18-10-6-7-11-19(18)26-20(14)15(2)23-21(25)16-12-22-24(13-16)17-8-4-3-5-9-17/h3-13,15H,1-2H3,(H,23,25).
What are the key properties of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55808093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).