5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide

C17H22FN5O2 — CID 118484989

IUPAC5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide
SMILESCCCCc1[nH]nc(C(=O)Nc2ccc(C3CNCCO3)nc2)c1F
InChIInChI=1S/C17H22FN5O2/c1-2-3-4-13-15(18)16(23-22-13)17(24)21-11-5-6-12(20-9-11)14-10-19-7-8-25-14/h5-6,9,14,19H,2-4,7-8,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyLOZDAFWGSKRVFZ-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.20
Rot. Bonds6

About 5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide

5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide (PubChem CID 118484989) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide
PubChem CID118484989
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide
SMILESCCCCc1[nH]nc(C(=O)Nc2ccc(C3CNCCO3)nc2)c1F
InChIInChI=1S/C17H22FN5O2/c1-2-3-4-13-15(18)16(23-22-13)17(24)21-11-5-6-12(20-9-11)14-10-19-7-8-25-14/h5-6,9,14,19H,2-4,7-8,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyLOZDAFWGSKRVFZ-UHFFFAOYSA-N
XLogP2.20
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide (CID 118484989) is 5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide is CCCCc1[nH]nc(C(=O)Nc2ccc(C3CNCCO3)nc2)c1F.
What is the InChIKey of 5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide?
The InChIKey is LOZDAFWGSKRVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-2-3-4-13-15(18)16(23-22-13)17(24)21-11-5-6-12(20-9-11)14-10-19-7-8-25-14/h5-6,9,14,19H,2-4,7-8,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide?
5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118484989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).