3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide

C21H20FN5O2 — CID 148701324

IUPAC3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide
SMILESN#Cc1cc(C2C=C(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)NN2)ccc1F
InChIInChI=1S/C21H20FN5O2/c22-17-6-3-14(9-15(17)11-23)18-10-19(27-26-18)21(28)25-16-4-1-13(2-5-16)20-12-24-7-8-29-20/h1-6,9-10,18,20,24,26-27H,7-8,12H2,(H,25,28)/t18?,20-/m1/s1
InChIKeyNVKNCKAOOPTFPI-ROPPNANJSA-N
MW393.42 g/mol
LogP2.03
Rot. Bonds4

About 3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide

3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide (PubChem CID 148701324) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide
PubChem CID148701324
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide
SMILESN#Cc1cc(C2C=C(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)NN2)ccc1F
InChIInChI=1S/C21H20FN5O2/c22-17-6-3-14(9-15(17)11-23)18-10-19(27-26-18)21(28)25-16-4-1-13(2-5-16)20-12-24-7-8-29-20/h1-6,9-10,18,20,24,26-27H,7-8,12H2,(H,25,28)/t18?,20-/m1/s1
InChIKeyNVKNCKAOOPTFPI-ROPPNANJSA-N
XLogP2.03
TPSA98.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
CID 118704720
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
8-fluoro-2-methyl-N-(4-morpholin-2-ylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167847716
N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
CID 66427683
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956
3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 71087529
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 56836053
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 90047494
1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047328

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide (CID 148701324) is 3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide is N#Cc1cc(C2C=C(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)NN2)ccc1F.
What is the InChIKey of 3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide?
The InChIKey is NVKNCKAOOPTFPI-ROPPNANJSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-17-6-3-14(9-15(17)11-23)18-10-19(27-26-18)21(28)25-16-4-1-13(2-5-16)20-12-24-7-8-29-20/h1-6,9-10,18,20,24,26-27H,7-8,12H2,(H,25,28)/t18?,20-/m1/s1.
What are the key properties of 3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide?
3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 148701324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).