N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide

C16H17F3N4O2 — CID 20744409

IUPACN-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2ccc(NC(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C16H17F3N4O2/c1-11-10-14(16(17,18)19)23(21-11)13-4-2-12(3-5-13)20-15(24)22-6-8-25-9-7-22/h2-5,10H,6-9H2,1H3,(H,20,24)
InChIKeyBDZXZCMWFVTKBL-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.06
Rot. Bonds2

About N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide

N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide (PubChem CID 20744409) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide
PubChem CID20744409
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2ccc(NC(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C16H17F3N4O2/c1-11-10-14(16(17,18)19)23(21-11)13-4-2-12(3-5-13)20-15(24)22-6-8-25-9-7-22/h2-5,10H,6-9H2,1H3,(H,20,24)
InChIKeyBDZXZCMWFVTKBL-UHFFFAOYSA-N
XLogP3.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide (CID 20744409) is N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is BDZXZCMWFVTKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-11-10-14(16(17,18)19)23(21-11)13-4-2-12(3-5-13)20-15(24)22-6-8-25-9-7-22/h2-5,10H,6-9H2,1H3,(H,20,24).
What are the key properties of N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide?
N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 20744409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).