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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Related Compounds

1-[11-Ethyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),3,7,9-tetraen-7-yl]-3-(4-methylphenyl)urea
CID 44413359
7-(difluoromethyl)-N-(2-furylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1259765
5-(2-furyl)-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3240488
6-(2-Furyl)-1,5-bis(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 9550876
6-(2-furyl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990607
6-(Furan-2-YL)-5-(3-methoxyphenyl)-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 15990657
6-(2-furyl)-5-(3-methoxyphenyl)-1-(2-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990894
N-(2-furylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 659919
1-(furan-2-ylmethyl)-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066487
1-[4-(Cyanomethyl)-1-(furan-2-ylmethyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89462460
N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 646398
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968

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).