1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide

C21H25F3N6O3 — CID 135384604

IUPAC1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3N3CCOCC3)CC2)n1
InChIInChI=1S/C21H25F3N6O3/c22-21(23,24)16-3-1-2-15(18(16)28-10-12-33-13-11-28)14-27-6-8-29(9-7-27)20(32)30-5-4-17(26-30)19(25)31/h1-5H,6-14H2,(H2,25,31)
InChIKeyGTPNYZAHGUOQNW-UHFFFAOYSA-N
MW466.46 g/mol
LogP1.62
Rot. Bonds4

About 1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide

1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide (PubChem CID 135384604) has the molecular formula C21H25F3N6O3 and a molecular weight of 466.46 g/mol. Its IUPAC name is 1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide
PubChem CID135384604
Molecular FormulaC21H25F3N6O3
Molecular Weight466.46 g/mol
Exact Mass466.19
IUPAC Name1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3N3CCOCC3)CC2)n1
InChIInChI=1S/C21H25F3N6O3/c22-21(23,24)16-3-1-2-15(18(16)28-10-12-33-13-11-28)14-27-6-8-29(9-7-27)20(32)30-5-4-17(26-30)19(25)31/h1-5H,6-14H2,(H2,25,31)
InChIKeyGTPNYZAHGUOQNW-UHFFFAOYSA-N
XLogP1.62
TPSA96.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide (CID 135384604) is 1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide is NC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3N3CCOCC3)CC2)n1.
What is the InChIKey of 1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide?
The InChIKey is GTPNYZAHGUOQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O3/c22-21(23,24)16-3-1-2-15(18(16)28-10-12-33-13-11-28)14-27-6-8-29(9-7-27)20(32)30-5-4-17(26-30)19(25)31/h1-5H,6-14H2,(H2,25,31).
What are the key properties of 1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide?
1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide has a molecular weight of 466.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-morpholin-4-yl-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide is sourced from PubChem (CID 135384604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).