5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C15H21FN4O3 — CID 131688893

IUPAC5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCCCNC(=O)c1n[nH]c2c1CC(CNC(=O)C1(F)CC1)OC2
InChIInChI=1S/C15H21FN4O3/c1-2-5-17-13(21)12-10-6-9(23-8-11(10)19-20-12)7-18-14(22)15(16)3-4-15/h9H,2-8H2,1H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyWYJRURBGDSZVHC-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.61
Rot. Bonds6

About 5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 131688893) has the molecular formula C15H21FN4O3 and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID131688893
Molecular FormulaC15H21FN4O3
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC Name5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCCCNC(=O)c1n[nH]c2c1CC(CNC(=O)C1(F)CC1)OC2
InChIInChI=1S/C15H21FN4O3/c1-2-5-17-13(21)12-10-6-9(23-8-11(10)19-20-12)7-18-14(22)15(16)3-4-15/h9H,2-8H2,1H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyWYJRURBGDSZVHC-UHFFFAOYSA-N
XLogP0.61
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of 5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 131688893) is 5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for 5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for 5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is CCCNC(=O)c1n[nH]c2c1CC(CNC(=O)C1(F)CC1)OC2.
What is the InChIKey of 5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is WYJRURBGDSZVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O3/c1-2-5-17-13(21)12-10-6-9(23-8-11(10)19-20-12)7-18-14(22)15(16)3-4-15/h9H,2-8H2,1H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of 5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-N-propyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 131688893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).