5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide

C15H18FN5O2 — CID 118484992

IUPAC5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)c1F
InChIInChI=1S/C15H18FN5O2/c1-2-10-13(16)14(21-20-10)15(22)19-9-3-4-11(18-7-9)12-8-17-5-6-23-12/h3-4,7,12,17H,2,5-6,8H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyDTDRGWOBAWFQON-GFCCVEGCSA-N
MW319.34 g/mol
LogP1.42
Rot. Bonds4

About 5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide

5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide (PubChem CID 118484992) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
PubChem CID118484992
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)c1F
InChIInChI=1S/C15H18FN5O2/c1-2-10-13(16)14(21-20-10)15(22)19-9-3-4-11(18-7-9)12-8-17-5-6-23-12/h3-4,7,12,17H,2,5-6,8H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyDTDRGWOBAWFQON-GFCCVEGCSA-N
XLogP1.42
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide (CID 118484992) is 5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)nc2)c1F.
What is the InChIKey of 5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
The InChIKey is DTDRGWOBAWFQON-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-2-10-13(16)14(21-20-10)15(22)19-9-3-4-11(18-7-9)12-8-17-5-6-23-12/h3-4,7,12,17H,2,5-6,8H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1.
What are the key properties of 5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide?
5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-fluoro-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118484992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).