N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide

C23H20N4O3 — CID 1037536

IUPACN-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)NCc3ccco3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3/c1-16-9-11-17(12-10-16)22(28)26-21-20(23(29)24-14-19-8-5-13-30-19)15-25-27(21)18-6-3-2-4-7-18/h2-13,15H,14H2,1H3,(H,24,29)(H,26,28)
InChIKeyJKGMUPVIASBWCT-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.96
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide

N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 1037536) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide
PubChem CID1037536
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)NCc3ccco3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O3/c1-16-9-11-17(12-10-16)22(28)26-21-20(23(29)24-14-19-8-5-13-30-19)15-25-27(21)18-6-3-2-4-7-18/h2-13,15H,14H2,1H3,(H,24,29)(H,26,28)
InChIKeyJKGMUPVIASBWCT-UHFFFAOYSA-N
XLogP3.96
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide (CID 1037536) is N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide is Cc1ccc(C(=O)Nc2c(C(=O)NCc3ccco3)cnn2-c2ccccc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is JKGMUPVIASBWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-16-9-11-17(12-10-16)22(28)26-21-20(23(29)24-14-19-8-5-13-30-19)15-25-27(21)18-6-3-2-4-7-18/h2-13,15H,14H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1037536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).