N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide

C18H22F3N5O3 — CID 118485016

IUPACN-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
SMILESCC(C)n1nc(OCC(F)(F)F)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)nc1
InChIInChI=1S/C18H22F3N5O3/c1-11(2)26-14(7-16(25-26)29-10-18(19,20)21)17(27)24-12-3-4-13(23-8-12)15-9-22-5-6-28-15/h3-4,7-8,11,15,22H,5-6,9-10H2,1-2H3,(H,24,27)/t15-/m0/s1
InChIKeyXRKMKXMLTZYKIL-HNNXBMFYSA-N
MW413.40 g/mol
LogP2.71
Rot. Bonds6

About N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide

N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide (PubChem CID 118485016) has the molecular formula C18H22F3N5O3 and a molecular weight of 413.40 g/mol. Its IUPAC name is N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
PubChem CID118485016
Molecular FormulaC18H22F3N5O3
Molecular Weight413.40 g/mol
Exact Mass413.17
IUPAC NameN-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
SMILESCC(C)n1nc(OCC(F)(F)F)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)nc1
InChIInChI=1S/C18H22F3N5O3/c1-11(2)26-14(7-16(25-26)29-10-18(19,20)21)17(27)24-12-3-4-13(23-8-12)15-9-22-5-6-28-15/h3-4,7-8,11,15,22H,5-6,9-10H2,1-2H3,(H,24,27)/t15-/m0/s1
InChIKeyXRKMKXMLTZYKIL-HNNXBMFYSA-N
XLogP2.71
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
The IUPAC name of N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide (CID 118485016) is N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide.
What is the SMILES notation for N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
The canonical SMILES for N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide is CC(C)n1nc(OCC(F)(F)F)cc1C(=O)Nc1ccc([C@@H]2CNCCO2)nc1.
What is the InChIKey of N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
The InChIKey is XRKMKXMLTZYKIL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22F3N5O3/c1-11(2)26-14(7-16(25-26)29-10-18(19,20)21)17(27)24-12-3-4-13(23-8-12)15-9-22-5-6-28-15/h3-4,7-8,11,15,22H,5-6,9-10H2,1-2H3,(H,24,27)/t15-/m0/s1.
What are the key properties of N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide has a molecular weight of 413.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide is sourced from PubChem (CID 118485016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).