5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide

C20H19FN4O3 — CID 91771955

IUPAC5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C20H19FN4O3/c21-15-6-2-1-5-13(15)19-14(11-23-25-19)20(26)24-16-8-10-27-12-17(16)28-18-7-3-4-9-22-18/h1-7,9,11,16-17H,8,10,12H2,(H,23,25)(H,24,26)/t16-,17-/m1/s1
InChIKeyGUJMYJOJAKVSFY-IAGOWNOFSA-N
MW382.40 g/mol
LogP2.58
Rot. Bonds5

About 5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 91771955) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID91771955
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C20H19FN4O3/c21-15-6-2-1-5-13(15)19-14(11-23-25-19)20(26)24-16-8-10-27-12-17(16)28-18-7-3-4-9-22-18/h1-7,9,11,16-17H,8,10,12H2,(H,23,25)(H,24,26)/t16-,17-/m1/s1
InChIKeyGUJMYJOJAKVSFY-IAGOWNOFSA-N
XLogP2.58
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclohexyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91796853
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 91796727
2-methyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1-benzofuran-7-carboxamide
CID 91761769
N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
CID 91773229
3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91790641
2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide
CID 91772566
N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
CID 91790643
5-(methoxymethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]thiophene-2-carboxamide
CID 91785982
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91791487
N-(1,1-dioxothian-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 75378460
3-methyl-4-oxo-N-(3-pyridin-2-yloxyoxan-4-yl)phthalazine-1-carboxamide
CID 156608868
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 155948751

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide (CID 91771955) is 5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide is O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is GUJMYJOJAKVSFY-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-15-6-2-1-5-13(15)19-14(11-23-25-19)20(26)24-16-8-10-27-12-17(16)28-18-7-3-4-9-22-18/h1-7,9,11,16-17H,8,10,12H2,(H,23,25)(H,24,26)/t16-,17-/m1/s1.
What are the key properties of 5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91771955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).