N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide

C23H21N3O3 — CID 42392061

IUPACN-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide
SMILESCc1c([C@@H](C)NC(=O)c2ccc(Oc3ccccc3)o2)cnn1-c1ccccc1
InChIInChI=1S/C23H21N3O3/c1-16(20-15-24-26(17(20)2)18-9-5-3-6-10-18)25-23(27)21-13-14-22(29-21)28-19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyRBTGTTMFEHDTAK-MRXNPFEDSA-N
MW387.44 g/mol
LogP5.06
Rot. Bonds6

About N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide

N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide (PubChem CID 42392061) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide
PubChem CID42392061
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide
SMILESCc1c([C@@H](C)NC(=O)c2ccc(Oc3ccccc3)o2)cnn1-c1ccccc1
InChIInChI=1S/C23H21N3O3/c1-16(20-15-24-26(17(20)2)18-9-5-3-6-10-18)25-23(27)21-13-14-22(29-21)28-19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyRBTGTTMFEHDTAK-MRXNPFEDSA-N
XLogP5.06
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-5-nitrofuran-2-carboxamide
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CID 95150313
(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]ethanamine
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1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide
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N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94806257
N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
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3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide
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2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
CID 97152826
N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide
CID 45239752
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
CID 55592880
N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]-3-phenoxypropanamide
CID 47023026
N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 42566503

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide (CID 42392061) is N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide is Cc1c([C@@H](C)NC(=O)c2ccc(Oc3ccccc3)o2)cnn1-c1ccccc1.
What is the InChIKey of N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide?
The InChIKey is RBTGTTMFEHDTAK-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16(20-15-24-26(17(20)2)18-9-5-3-6-10-18)25-23(27)21-13-14-22(29-21)28-19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,27)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide?
N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide is sourced from PubChem (CID 42392061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).