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

C18H24F2N4O3 — CID 131689200

IUPACN-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1n[nH]c2c1CC(CNC(=O)C1CC(F)(F)C1)OC2
InChIInChI=1S/C18H24F2N4O3/c19-18(20)6-10(7-18)16(25)21-8-12-5-13-14(9-27-12)23-24-15(13)17(26)22-11-3-1-2-4-11/h10-12H,1-9H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyZPAZULYFVYTHAZ-UHFFFAOYSA-N
MW382.41 g/mol
LogP1.68
Rot. Bonds5

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

N-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 131689200) has the molecular formula C18H24F2N4O3 and a molecular weight of 382.41 g/mol. Its IUPAC name is N-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID131689200
Molecular FormulaC18H24F2N4O3
Molecular Weight382.41 g/mol
Exact Mass382.18
IUPAC NameN-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1n[nH]c2c1CC(CNC(=O)C1CC(F)(F)C1)OC2
InChIInChI=1S/C18H24F2N4O3/c19-18(20)6-10(7-18)16(25)21-8-12-5-13-14(9-27-12)23-24-15(13)17(26)22-11-3-1-2-4-11/h10-12H,1-9H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyZPAZULYFVYTHAZ-UHFFFAOYSA-N
XLogP1.68
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 131689200) is N-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is O=C(NC1CCCC1)c1n[nH]c2c1CC(CNC(=O)C1CC(F)(F)C1)OC2.
What is the InChIKey of N-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is ZPAZULYFVYTHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O3/c19-18(20)6-10(7-18)16(25)21-8-12-5-13-14(9-27-12)23-24-15(13)17(26)22-11-3-1-2-4-11/h10-12H,1-9H2,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
N-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[[(3,3-difluorocyclobutanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 131689200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).