1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

C39H36ClF3N10O4 — CID 159207485

IUPAC1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(C(F)(F)F)cn2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C20H18F3N5O2.C19H18ClN5O2/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;20-14-3-6-18(22-11-14)25-9-7-16(24-25)19(26)23-15-4-1-13(2-5-15)17-12-21-8-10-27-17/h1-7,9,11,17,24H,8,10,12H2,(H,26,29);1-7,9,11,17,21H,8,10,12H2,(H,23,26)/t2*17-/m11/s1
InChIKeyKQBJETPUKGQWIK-NDMDWDKOSA-N
MW801.23 g/mol
LogP6.03
Rot. Bonds8

About 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 159207485) has the molecular formula C39H36ClF3N10O4 and a molecular weight of 801.23 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID159207485
Molecular FormulaC39H36ClF3N10O4
Molecular Weight801.23 g/mol
Exact Mass800.26
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(C(F)(F)F)cn2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C20H18F3N5O2.C19H18ClN5O2/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;20-14-3-6-18(22-11-14)25-9-7-16(24-25)19(26)23-15-4-1-13(2-5-15)17-12-21-8-10-27-17/h1-7,9,11,17,24H,8,10,12H2,(H,26,29);1-7,9,11,17,21H,8,10,12H2,(H,23,26)/t2*17-/m11/s1
InChIKeyKQBJETPUKGQWIK-NDMDWDKOSA-N
XLogP6.03
TPSA162.14 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500801.23
LogP ≤ 56.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[4-[(2R)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087441
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087663
N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086956
N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71087018
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087452
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 71087564
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide
CID 71087715
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide
CID 71087735
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 71087896
1-(3-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 86674815
1-(6-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 89262415
1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 89262448

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 159207485) is 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(C(F)(F)F)cn2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2ccc(Cl)cn2)n1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is KQBJETPUKGQWIK-NDMDWDKOSA-N. The full InChI is InChI=1S/C20H18F3N5O2.C19H18ClN5O2/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;20-14-3-6-18(22-11-14)25-9-7-16(24-25)19(26)23-15-4-1-13(2-5-15)17-12-21-8-10-27-17/h1-7,9,11,17,24H,8,10,12H2,(H,26,29);1-7,9,11,17,21H,8,10,12H2,(H,23,26)/t2*17-/m11/s1.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 801.23 g/mol, XLogP of 6.03, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 159207485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).