1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide

C24H23N3O3 — CID 7404675

IUPAC1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccc(C)o3)cc2C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-16-9-14-23(30-16)21-15-22(24(28)25-17(2)18-7-5-4-6-8-18)27(26-21)19-10-12-20(29-3)13-11-19/h4-15,17H,1-3H3,(H,25,28)/t17-/m0/s1
InChIKeyVDXWVMHYVNOAME-KRWDZBQOSA-N
MW401.47 g/mol
LogP4.94
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide

1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide (PubChem CID 7404675) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
PubChem CID7404675
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(-c3ccc(C)o3)cc2C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-16-9-14-23(30-16)21-15-22(24(28)25-17(2)18-7-5-4-6-8-18)27(26-21)19-10-12-20(29-3)13-11-19/h4-15,17H,1-3H3,(H,25,28)/t17-/m0/s1
InChIKeyVDXWVMHYVNOAME-KRWDZBQOSA-N
XLogP4.94
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-1-(4-methylphenyl)-N-(1-phenylethyl)pyrazole-5-carboxamide
CID 3692522
N-[(2S)-butan-2-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxamide
CID 812311
3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4654374
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 1053683
3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
CID 812110
diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7373893
[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761946
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267654
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267659
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide (CID 7404675) is 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide is COc1ccc(-n2nc(-c3ccc(C)o3)cc2C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide?
The InChIKey is VDXWVMHYVNOAME-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16-9-14-23(30-16)21-15-22(24(28)25-17(2)18-7-5-4-6-8-18)27(26-21)19-10-12-20(29-3)13-11-19/h4-15,17H,1-3H3,(H,25,28)/t17-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide?
1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 7404675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).