N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide

C23H22N4O5S — CID 17023863

IUPACN-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide
SMILESCn1cc(NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C23H22N4O5S/c1-27-15-20(22(26-27)23(29)24-14-18-7-4-11-32-18)25-21(28)10-12-33(30,31)19-9-8-16-5-2-3-6-17(16)13-19/h2-9,11,13,15H,10,12,14H2,1H3,(H,24,29)(H,25,28)
InChIKeyBNUGFERBQIOHOW-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.90
Rot. Bonds8

About N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide

N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide (PubChem CID 17023863) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide
PubChem CID17023863
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide
SMILESCn1cc(NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C23H22N4O5S/c1-27-15-20(22(26-27)23(29)24-14-18-7-4-11-32-18)25-21(28)10-12-33(30,31)19-9-8-16-5-2-3-6-17(16)13-19/h2-9,11,13,15H,10,12,14H2,1H3,(H,24,29)(H,25,28)
InChIKeyBNUGFERBQIOHOW-UHFFFAOYSA-N
XLogP2.90
TPSA123.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570005
1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470772
2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485639
N-(furan-2-ylmethyl)-1-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19551876
4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477079
1-ethyl-N-(furan-2-ylmethyl)-4-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19264021
N-(furan-2-ylmethyl)-1-methyl-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19509229
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400423
1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472218
N-(furan-2-ylmethyl)-1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19400405
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400409

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide (CID 17023863) is N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide is Cn1cc(NC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide?
The InChIKey is BNUGFERBQIOHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-27-15-20(22(26-27)23(29)24-14-18-7-4-11-32-18)25-21(28)10-12-33(30,31)19-9-8-16-5-2-3-6-17(16)13-19/h2-9,11,13,15H,10,12,14H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide?
N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 17023863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).