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

C20H20F3N5O2 — CID 71113050

IUPACN-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)C1=NN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)14-3-6-18(25-11-14)28-9-7-16(27-28)19(29)26-15-4-1-13(2-5-15)17-12-24-8-10-30-17/h1-6,11,17,24H,7-10,12H2,(H,26,29)/t17-/m1/s1
InChIKeyURPCYPLSMIKTTP-QGZVFWFLSA-N
MW419.41 g/mol
LogP2.97
Rot. Bonds4

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

N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide (PubChem CID 71113050) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide
PubChem CID71113050
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC NameN-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)C1=NN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)14-3-6-18(25-11-14)28-9-7-16(27-28)19(29)26-15-4-1-13(2-5-15)17-12-24-8-10-30-17/h1-6,11,17,24H,7-10,12H2,(H,26,29)/t17-/m1/s1
InChIKeyURPCYPLSMIKTTP-QGZVFWFLSA-N
XLogP2.97
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide
CID 71113057
2-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-3,4-dihydropyrazole-5-carboxamide
CID 71113263
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 71087452
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 71087444
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride
CID 71087819
N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide
CID 90047286
N-(4-morpholin-2-ylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 90047385
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 56836053
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087810
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956
4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 164898260

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide (CID 71113050) is N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)C1=NN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is URPCYPLSMIKTTP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c21-20(22,23)14-3-6-18(25-11-14)28-9-7-16(27-28)19(29)26-15-4-1-13(2-5-15)17-12-24-8-10-30-17/h1-6,11,17,24H,7-10,12H2,(H,26,29)/t17-/m1/s1.
What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide?
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-morpholin-2-yl]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 71113050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).