2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

C17H18N6O5 — CID 19504711

IUPAC2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)Nc2cnn(C)c2C(=O)NCc2ccco2)cn1
InChIInChI=1S/C17H18N6O5/c1-10(17(26)27)23-9-11(6-20-23)15(24)21-13-8-19-22(2)14(13)16(25)18-7-12-4-3-5-28-12/h3-6,8-10H,7H2,1-2H3,(H,18,25)(H,21,24)(H,26,27)
InChIKeyAKLAOLUTUFMWNJ-UHFFFAOYSA-N
MW386.37 g/mol
LogP1.04
Rot. Bonds7

About 2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19504711) has the molecular formula C17H18N6O5 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19504711
Molecular FormulaC17H18N6O5
Molecular Weight386.37 g/mol
Exact Mass386.13
IUPAC Name2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)Nc2cnn(C)c2C(=O)NCc2ccco2)cn1
InChIInChI=1S/C17H18N6O5/c1-10(17(26)27)23-9-11(6-20-23)15(24)21-13-8-19-22(2)14(13)16(25)18-7-12-4-3-5-28-12/h3-6,8-10H,7H2,1-2H3,(H,18,25)(H,21,24)(H,26,27)
InChIKeyAKLAOLUTUFMWNJ-UHFFFAOYSA-N
XLogP1.04
TPSA144.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
CID 19398212
1-[1-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19506277
2-[4-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504744
4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398057
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398223
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
N-(furan-2-ylmethyl)-4-[(4-methoxy-3-nitrobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19398087
1-[2-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502280
N-(furan-2-ylmethyl)-1-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684
N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19398092
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398268

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19504711) is 2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(C(=O)Nc2cnn(C)c2C(=O)NCc2ccco2)cn1.
What is the InChIKey of 2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is AKLAOLUTUFMWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O5/c1-10(17(26)27)23-9-11(6-20-23)15(24)21-13-8-19-22(2)14(13)16(25)18-7-12-4-3-5-28-12/h3-6,8-10H,7H2,1-2H3,(H,18,25)(H,21,24)(H,26,27).
What are the key properties of 2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 386.37 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).