5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide

C23H20N4O4 — CID 51998966

IUPAC5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H20N4O4/c1-27-21(25-23(29)20-8-5-13-30-20)14-19(26-27)22(28)24-17-9-11-18(12-10-17)31-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,28)(H,25,29)
InChIKeyHAPBSQUTQPVQEL-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.10
Rot. Bonds7

About 5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide

5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide (PubChem CID 51998966) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
PubChem CID51998966
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccco1
InChIInChI=1S/C23H20N4O4/c1-27-21(25-23(29)20-8-5-13-30-20)14-19(26-27)22(28)24-17-9-11-18(12-10-17)31-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,28)(H,25,29)
InChIKeyHAPBSQUTQPVQEL-UHFFFAOYSA-N
XLogP4.10
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999001
methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
CID 112787723
1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811727
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide
CID 51998968
N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54822034
N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999079
2-(furan-2-carbonylamino)-N-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 90515253
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 51999123
N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999157
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide (CID 51998966) is 5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccco1.
What is the InChIKey of 5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is HAPBSQUTQPVQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-27-21(25-23(29)20-8-5-13-30-20)14-19(26-27)22(28)24-17-9-11-18(12-10-17)31-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide?
5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 51998966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).