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

C17H23FN4O3 — CID 131688820

IUPACN-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1n[nH]c2c1CC(CNC(=O)C1(F)CC1)OC2
InChIInChI=1S/C17H23FN4O3/c18-17(5-6-17)16(24)19-8-11-7-12-13(9-25-11)21-22-14(12)15(23)20-10-3-1-2-4-10/h10-11H,1-9H2,(H,19,24)(H,20,23)(H,21,22)
InChIKeyNFCOZDQQHHFWQE-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.14
Rot. Bonds5

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

N-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 131688820) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID131688820
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC NameN-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1n[nH]c2c1CC(CNC(=O)C1(F)CC1)OC2
InChIInChI=1S/C17H23FN4O3/c18-17(5-6-17)16(24)19-8-11-7-12-13(9-25-11)21-22-14(12)15(23)20-10-3-1-2-4-10/h10-11H,1-9H2,(H,19,24)(H,20,23)(H,21,22)
InChIKeyNFCOZDQQHHFWQE-UHFFFAOYSA-N
XLogP1.14
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 131688820) is N-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is O=C(NC1CCCC1)c1n[nH]c2c1CC(CNC(=O)C1(F)CC1)OC2.
What is the InChIKey of N-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is NFCOZDQQHHFWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c18-17(5-6-17)16(24)19-8-11-7-12-13(9-25-11)21-22-14(12)15(23)20-10-3-1-2-4-10/h10-11H,1-9H2,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of N-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
N-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[[(1-fluorocyclopropanecarbonyl)amino]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 131688820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).