3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide

C16H18F3N5O2 — CID 136589589

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H18F3N5O2/c1-9-14(10(2)23-22-9)12-8-26-6-5-24(12)15(25)21-11-3-4-13(20-7-11)16(17,18)19/h3-4,7,12H,5-6,8H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyPFAHTDVZRMFJPF-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.05
Rot. Bonds2

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 136589589) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
PubChem CID136589589
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H18F3N5O2/c1-9-14(10(2)23-22-9)12-8-26-6-5-24(12)15(25)21-11-3-4-13(20-7-11)16(17,18)19/h3-4,7,12H,5-6,8H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyPFAHTDVZRMFJPF-UHFFFAOYSA-N
XLogP3.05
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide (CID 136589589) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide is Cc1n[nH]c(C)c1C1COCCN1C(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide?
The InChIKey is PFAHTDVZRMFJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-9-14(10(2)23-22-9)12-8-26-6-5-24(12)15(25)21-11-3-4-13(20-7-11)16(17,18)19/h3-4,7,12H,5-6,8H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 136589589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).