5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C15H17N3O4 — CID 119222313

IUPAC5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cc(C3CC3)[nH]n2)cc1C(=O)O
InChIInChI=1S/C15H17N3O4/c1-8-11(15(20)21)5-10(22-8)7-18(2)14(19)13-6-12(16-17-13)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyCUHCBYOYNLZPGY-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.16
Rot. Bonds5

About 5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119222313) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119222313
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cc(C3CC3)[nH]n2)cc1C(=O)O
InChIInChI=1S/C15H17N3O4/c1-8-11(15(20)21)5-10(22-8)7-18(2)14(19)13-6-12(16-17-13)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyCUHCBYOYNLZPGY-UHFFFAOYSA-N
XLogP2.16
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119222313) is 5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2cc(C3CC3)[nH]n2)cc1C(=O)O.
What is the InChIKey of 5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is CUHCBYOYNLZPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-8-11(15(20)21)5-10(22-8)7-18(2)14(19)13-6-12(16-17-13)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,16,17)(H,20,21).
What are the key properties of 5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119222313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).