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

C19H21FN4O3 — CID 131688810

IUPACN-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1n[nH]c2c1CC(CNC(=O)C1(F)CC1)OC2
InChIInChI=1S/C19H21FN4O3/c20-19(6-7-19)18(26)22-10-13-8-14-15(11-27-13)23-24-16(14)17(25)21-9-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyJCFYMBZRPUUUDN-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.40
Rot. Bonds6

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

N-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 131688810) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID131688810
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1n[nH]c2c1CC(CNC(=O)C1(F)CC1)OC2
InChIInChI=1S/C19H21FN4O3/c20-19(6-7-19)18(26)22-10-13-8-14-15(11-27-13)23-24-16(14)17(25)21-9-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyJCFYMBZRPUUUDN-UHFFFAOYSA-N
XLogP1.40
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 131688810) is N-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is O=C(NCc1ccccc1)c1n[nH]c2c1CC(CNC(=O)C1(F)CC1)OC2.
What is the InChIKey of N-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is JCFYMBZRPUUUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-19(6-7-19)18(26)22-10-13-8-14-15(11-27-13)23-24-16(14)17(25)21-9-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
N-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 131688810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).