1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide

C22H24N4O3 — CID 1053817

IUPAC1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccco3)cc2C(=O)N[C@@H]2CCCCNC2=O)c(C)c1
InChIInChI=1S/C22H24N4O3/c1-14-8-9-18(15(2)12-14)26-19(13-17(25-26)20-7-5-11-29-20)22(28)24-16-6-3-4-10-23-21(16)27/h5,7-9,11-13,16H,3-4,6,10H2,1-2H3,(H,23,27)(H,24,28)/t16-/m1/s1
InChIKeyQJMPQIHLTRGCTL-MRXNPFEDSA-N
MW392.46 g/mol
LogP3.15
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide

1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide (PubChem CID 1053817) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
PubChem CID1053817
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccco3)cc2C(=O)N[C@@H]2CCCCNC2=O)c(C)c1
InChIInChI=1S/C22H24N4O3/c1-14-8-9-18(15(2)12-14)26-19(13-17(25-26)20-7-5-11-29-20)22(28)24-16-6-3-4-10-23-21(16)27/h5,7-9,11-13,16H,3-4,6,10H2,1-2H3,(H,23,27)(H,24,28)/t16-/m1/s1
InChIKeyQJMPQIHLTRGCTL-MRXNPFEDSA-N
XLogP3.15
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 1053825
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 1053790
1-(3-methylphenyl)-N-(2-oxoazepan-3-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762100
1-[1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 1053819
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide
CID 3891235
5-(furan-2-yl)-N-[(3R)-2-oxopiperidin-3-yl]-1,2-oxazole-3-carboxamide
CID 94363969
8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide
CID 156607428
5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
CID 146126262
N-tert-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762329
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 1053837
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053783
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide (CID 1053817) is 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3ccco3)cc2C(=O)N[C@@H]2CCCCNC2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide?
The InChIKey is QJMPQIHLTRGCTL-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-8-9-18(15(2)12-14)26-19(13-17(25-26)20-7-5-11-29-20)22(28)24-16-6-3-4-10-23-21(16)27/h5,7-9,11-13,16H,3-4,6,10H2,1-2H3,(H,23,27)(H,24,28)/t16-/m1/s1.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide?
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 1053817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).