2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C21H26F3N5O2 — CID 75397335

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C21H26F3N5O2/c1-13-19(14(2)27-26-13)18-4-3-7-29(18)20(30)25-16-12-15(21(22,23)24)5-6-17(16)28-8-10-31-11-9-28/h5-6,12,18H,3-4,7-11H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyYAGUEUVMJOVLSM-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.25
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 75397335) has the molecular formula C21H26F3N5O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID75397335
Molecular FormulaC21H26F3N5O2
Molecular Weight437.47 g/mol
Exact Mass437.20
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C21H26F3N5O2/c1-13-19(14(2)27-26-13)18-4-3-7-29(18)20(30)25-16-12-15(21(22,23)24)5-6-17(16)28-8-10-31-11-9-28/h5-6,12,18H,3-4,7-11H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyYAGUEUVMJOVLSM-UHFFFAOYSA-N
XLogP4.25
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 75397335) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is Cc1n[nH]c(C)c1C1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is YAGUEUVMJOVLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O2/c1-13-19(14(2)27-26-13)18-4-3-7-29(18)20(30)25-16-12-15(21(22,23)24)5-6-17(16)28-8-10-31-11-9-28/h5-6,12,18H,3-4,7-11H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 437.47 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75397335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).