1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid

C18H20N6O5 — CID 19483225

IUPAC1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
SMILESCCn1ncc(NC(=O)CCn2cc(C(=O)O)cn2)c1C(=O)NCc1ccco1
InChIInChI=1S/C18H20N6O5/c1-2-24-16(17(26)19-9-13-4-3-7-29-13)14(10-21-24)22-15(25)5-6-23-11-12(8-20-23)18(27)28/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,19,26)(H,22,25)(H,27,28)
InChIKeyPNUDDFIELGVLHK-UHFFFAOYSA-N
MW400.40 g/mol
LogP1.35
Rot. Bonds9

About 1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid

1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid (PubChem CID 19483225) has the molecular formula C18H20N6O5 and a molecular weight of 400.40 g/mol. Its IUPAC name is 1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
PubChem CID19483225
Molecular FormulaC18H20N6O5
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
SMILESCCn1ncc(NC(=O)CCn2cc(C(=O)O)cn2)c1C(=O)NCc1ccco1
InChIInChI=1S/C18H20N6O5/c1-2-24-16(17(26)19-9-13-4-3-7-29-13)14(10-21-24)22-15(25)5-6-23-11-12(8-20-23)18(27)28/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,19,26)(H,22,25)(H,27,28)
InChIKeyPNUDDFIELGVLHK-UHFFFAOYSA-N
XLogP1.35
TPSA144.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid with MolForge

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Related Compounds

4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19561846
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398223
2-[4-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621941
1-[2-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502280
1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19569994
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398172
1-[3-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470772
2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504711
4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316
3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 19542092
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
CID 19398212

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid (CID 19483225) is 1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid is CCn1ncc(NC(=O)CCn2cc(C(=O)O)cn2)c1C(=O)NCc1ccco1.
What is the InChIKey of 1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid?
The InChIKey is PNUDDFIELGVLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O5/c1-2-24-16(17(26)19-9-13-4-3-7-29-13)14(10-21-24)22-15(25)5-6-23-11-12(8-20-23)18(27)28/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,19,26)(H,22,25)(H,27,28).
What are the key properties of 1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid?
1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid has a molecular weight of 400.40 g/mol, XLogP of 1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1-ethyl-5-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19483225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).