2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide

C20H21FN4O2 — CID 71113263

IUPAC2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)C1=NN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4O2/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/h1-8,19,22H,9-13H2,(H,23,26)/t19-/m1/s1
InChIKeyRZFCLBVAPQDTMH-LJQANCHMSA-N
MW368.41 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide

2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide (PubChem CID 71113263) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide
PubChem CID71113263
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)C1=NN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4O2/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/h1-8,19,22H,9-13H2,(H,23,26)/t19-/m1/s1
InChIKeyRZFCLBVAPQDTMH-LJQANCHMSA-N
XLogP2.69
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide
CID 71113057
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide
CID 71113050
2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
CID 90047217
1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087883
5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride
CID 90047544
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 159688298
5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
CID 118704700
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087915
1-[4-(difluoromethoxy)phenyl]-N-(4-morpholin-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 90047267
8-fluoro-2-methyl-N-(4-morpholin-2-ylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167847716

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide (CID 71113263) is 2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)C1=NN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is RZFCLBVAPQDTMH-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21FN4O2/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/h1-8,19,22H,9-13H2,(H,23,26)/t19-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide?
2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 71113263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).