1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride

C20H20ClFN4O2 — CID 71087883

IUPAC1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN4O2.ClH/c21-15-3-7-17(8-4-15)25-11-9-18(24-25)20(26)23-16-5-1-14(2-6-16)19-13-22-10-12-27-19;/h1-9,11,19,22H,10,12-13H2,(H,23,26);1H/t19-;/m0./s1
InChIKeyQVOSVRMFNMNGEQ-FYZYNONXSA-N
MW402.86 g/mol
LogP3.35
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride

1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 71087883) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
PubChem CID71087883
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC Name1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN4O2.ClH/c21-15-3-7-17(8-4-15)25-11-9-18(24-25)20(26)23-16-5-1-14(2-6-16)19-13-22-10-12-27-19;/h1-9,11,19,22H,10,12-13H2,(H,23,26);1H/t19-;/m0./s1
InChIKeyQVOSVRMFNMNGEQ-FYZYNONXSA-N
XLogP3.35
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride (CID 71087883) is 1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is QVOSVRMFNMNGEQ-FYZYNONXSA-N. The full InChI is InChI=1S/C20H19FN4O2.ClH/c21-15-3-7-17(8-4-15)25-11-9-18(24-25)20(26)23-16-5-1-14(2-6-16)19-13-22-10-12-27-19;/h1-9,11,19,22H,10,12-13H2,(H,23,26);1H/t19-;/m0./s1.
What are the key properties of 1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride?
1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 402.86 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71087883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).