1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C23H21N5O3 — CID 1299889

IUPAC1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3ccccn3)c2NC(=O)c2ccco2)cc1C
InChIInChI=1S/C23H21N5O3/c1-15-8-9-18(12-16(15)2)28-21(27-23(30)20-7-5-11-31-20)19(14-26-28)22(29)25-13-17-6-3-4-10-24-17/h3-12,14H,13H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyKMYQOYLIMRSJMS-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.66
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 1299889) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID1299889
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NCc3ccccn3)c2NC(=O)c2ccco2)cc1C
InChIInChI=1S/C23H21N5O3/c1-15-8-9-18(12-16(15)2)28-21(27-23(30)20-7-5-11-31-20)19(14-26-28)22(29)25-13-17-6-3-4-10-24-17/h3-12,14H,13H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyKMYQOYLIMRSJMS-UHFFFAOYSA-N
XLogP3.66
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
1-(4-fluorophenyl)-N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 46481236
1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 55544244
4-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-7-carboxamide
CID 71043374
1-(2-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818120
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818142
1-(3-fluoro-4-methylphenyl)-5-methyl-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 46858085
1-(4-fluorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55595553
4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212692
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258548
7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46167866

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 1299889) is 1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NCc3ccccn3)c2NC(=O)c2ccco2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is KMYQOYLIMRSJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-15-8-9-18(12-16(15)2)28-21(27-23(30)20-7-5-11-31-20)19(14-26-28)22(29)25-13-17-6-3-4-10-24-17/h3-12,14H,13H2,1-2H3,(H,25,29)(H,27,30).
What are the key properties of 1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?
1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-(furan-2-carbonylamino)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 1299889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).