2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride

C20H20ClFN4O2 — CID 141365608

IUPAC2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride
SMILESCl.O=C(Nc1cc(-c2ccc(C3CNCCO3)cc2)[nH]n1)c1ccccc1F
InChIInChI=1S/C20H19FN4O2.ClH/c21-16-4-2-1-3-15(16)20(26)23-19-11-17(24-25-19)13-5-7-14(8-6-13)18-12-22-9-10-27-18;/h1-8,11,18,22H,9-10,12H2,(H2,23,24,25,26);1H
InChIKeyOTHWHXUDATWROT-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.55
Rot. Bonds4

About 2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride

2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride (PubChem CID 141365608) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is 2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride
PubChem CID141365608
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC Name2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride
SMILESCl.O=C(Nc1cc(-c2ccc(C3CNCCO3)cc2)[nH]n1)c1ccccc1F
InChIInChI=1S/C20H19FN4O2.ClH/c21-16-4-2-1-3-15(16)20(26)23-19-11-17(24-25-19)13-5-7-14(8-6-13)18-12-22-9-10-27-18;/h1-8,11,18,22H,9-10,12H2,(H2,23,24,25,26);1H
InChIKeyOTHWHXUDATWROT-UHFFFAOYSA-N
XLogP3.55
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride (CID 141365608) is 2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride is Cl.O=C(Nc1cc(-c2ccc(C3CNCCO3)cc2)[nH]n1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride?
The InChIKey is OTHWHXUDATWROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2.ClH/c21-16-4-2-1-3-15(16)20(26)23-19-11-17(24-25-19)13-5-7-14(8-6-13)18-12-22-9-10-27-18;/h1-8,11,18,22H,9-10,12H2,(H2,23,24,25,26);1H.
What are the key properties of 2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride?
2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride has a molecular weight of 402.86 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzamide;hydrochloride is sourced from PubChem (CID 141365608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).