1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid

C17H18N6O5 — CID 19470772

IUPAC1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCn1cc(NC(=O)CCn2ccc(C(=O)O)n2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H18N6O5/c1-22-10-13(15(21-22)16(25)18-9-11-3-2-8-28-11)19-14(24)5-7-23-6-4-12(20-23)17(26)27/h2-4,6,8,10H,5,7,9H2,1H3,(H,18,25)(H,19,24)(H,26,27)
InChIKeySAENRQASWQZEPI-UHFFFAOYSA-N
MW386.37 g/mol
LogP0.87
Rot. Bonds8

About 1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid

1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid (PubChem CID 19470772) has the molecular formula C17H18N6O5 and a molecular weight of 386.37 g/mol. Its IUPAC name is 1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
PubChem CID19470772
Molecular FormulaC17H18N6O5
Molecular Weight386.37 g/mol
Exact Mass386.13
IUPAC Name1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
SMILESCn1cc(NC(=O)CCn2ccc(C(=O)O)n2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H18N6O5/c1-22-10-13(15(21-22)16(25)18-9-11-3-2-8-28-11)19-14(24)5-7-23-6-4-12(20-23)17(26)27/h2-4,6,8,10H,5,7,9H2,1H3,(H,18,25)(H,19,24)(H,26,27)
InChIKeySAENRQASWQZEPI-UHFFFAOYSA-N
XLogP0.87
TPSA144.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570005
2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485639
1-[2-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502280
4-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19272475
N-(furan-2-ylmethyl)-1-methyl-4-[[1-[(2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19277564
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19551876
N-(furan-2-ylmethyl)-1-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 19474684
4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19561846
1-[3-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470768
N-(furan-2-ylmethyl)-1-methyl-4-(3-naphthalen-2-ylsulfonylpropanoylamino)pyrazole-3-carboxamide
CID 17023863
4-[[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19265001
4-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477079

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid (CID 19470772) is 1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid is Cn1cc(NC(=O)CCn2ccc(C(=O)O)n2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
The InChIKey is SAENRQASWQZEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O5/c1-22-10-13(15(21-22)16(25)18-9-11-3-2-8-28-11)19-14(24)5-7-23-6-4-12(20-23)17(26)27/h2-4,6,8,10H,5,7,9H2,1H3,(H,18,25)(H,19,24)(H,26,27).
What are the key properties of 1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid?
1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid has a molecular weight of 386.37 g/mol, XLogP of 0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19470772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).