N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide

C10H14FN3O5 — CID 87659003

IUPACN-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1[nH]nc(NC=O)c1F
InChIInChI=1S/C10H14FN3O5/c1-10(18)7(17)4(2-15)19-8(10)6-5(11)9(12-3-16)14-13-6/h3-4,7-8,15,17-18H,2H2,1H3,(H2,12,13,14,16)/t4-,7-,8+,10-/m1/s1
InChIKeyXJLLODVBFZUOBW-HXTSZGLJSA-N
MW275.24 g/mol
LogP-1.34
Rot. Bonds4

About N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide

N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide (PubChem CID 87659003) has the molecular formula C10H14FN3O5 and a molecular weight of 275.24 g/mol. Its IUPAC name is N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide.

Molecular Properties

Compound NameN-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide
PubChem CID87659003
Molecular FormulaC10H14FN3O5
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC NameN-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1[nH]nc(NC=O)c1F
InChIInChI=1S/C10H14FN3O5/c1-10(18)7(17)4(2-15)19-8(10)6-5(11)9(12-3-16)14-13-6/h3-4,7-8,15,17-18H,2H2,1H3,(H2,12,13,14,16)/t4-,7-,8+,10-/m1/s1
InChIKeyXJLLODVBFZUOBW-HXTSZGLJSA-N
XLogP-1.34
TPSA127.70 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 5-1.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide?
The IUPAC name of N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide (CID 87659003) is N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide.
What is the SMILES notation for N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide?
The canonical SMILES for N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide is C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1[nH]nc(NC=O)c1F.
What is the InChIKey of N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide?
The InChIKey is XJLLODVBFZUOBW-HXTSZGLJSA-N. The full InChI is InChI=1S/C10H14FN3O5/c1-10(18)7(17)4(2-15)19-8(10)6-5(11)9(12-3-16)14-13-6/h3-4,7-8,15,17-18H,2H2,1H3,(H2,12,13,14,16)/t4-,7-,8+,10-/m1/s1.
What are the key properties of N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide?
N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide has a molecular weight of 275.24 g/mol, XLogP of -1.34, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-fluoro-1H-pyrazol-3-yl]formamide is sourced from PubChem (CID 87659003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).