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

C23H29F3N6O3 — CID 135384646

IUPACN,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3N3CCOCC3)CC2)n1
InChIInChI=1S/C23H29F3N6O3/c1-28(2)21(33)19-5-6-32(27-19)22(34)31-9-7-29(8-10-31)16-17-3-4-18(23(24,25)26)15-20(17)30-11-13-35-14-12-30/h3-6,15H,7-14,16H2,1-2H3
InChIKeyAUKCLRJDFQTRTL-UHFFFAOYSA-N
MW494.52 g/mol
LogP2.23
Rot. Bonds4

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

N,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide (PubChem CID 135384646) has the molecular formula C23H29F3N6O3 and a molecular weight of 494.52 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide
PubChem CID135384646
Molecular FormulaC23H29F3N6O3
Molecular Weight494.52 g/mol
Exact Mass494.23
IUPAC NameN,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3N3CCOCC3)CC2)n1
InChIInChI=1S/C23H29F3N6O3/c1-28(2)21(33)19-5-6-32(27-19)22(34)31-9-7-29(8-10-31)16-17-3-4-18(23(24,25)26)15-20(17)30-11-13-35-14-12-30/h3-6,15H,7-14,16H2,1-2H3
InChIKeyAUKCLRJDFQTRTL-UHFFFAOYSA-N
XLogP2.23
TPSA74.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-Methylpyrazol-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 6464895
US10323038, Example 195
CID 135375597
US10323038, Example 61
CID 135375913
1-[4-[(2-Hydroxy-2-methylpropyl)-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide
CID 135383772
(R)-1-(2-methyl-4-(2-(pyrrolidin-1-yl)-4-(trifluoromethyl)-benzyl)piperazine-1-carbonyl)-1H-pyrazole-3-carboxamide
CID 135384044
1-[4-[[2-Morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
CID 135384105
1-(4-(2-(piperidin-1-yl)-4-(trifluoromethyl)-benzyl)-piperazine-1-carbonyl)-1H-pyrazole-3-carboxylic acid
CID 135384114
1-(4-methyl-4-methyl(3-(trifluoromethyl)-benzyl)amino)-piperidine-1-carbonyl)-1H-pyrazole-3-carboxamide
CID 135384261
1-((2R,4R)-2-methyl-4-(methyl(3-(trifluoromethyl)-benzyl)amino)-piperidine-1-carbonyl)-1H-pyrazole-3-carboxamide
CID 135384262
1-(4-methyl-4-(methyl(2-(piperidin-1-yl)-4-(trifluoromethyl)-benzyl)amino)-piperidine-1-carbonyl)-1H-pyrazole-3-carboxylic acid
CID 135384276
1-((2S,4R)-2-methyl-4-(methyl(3-(trifluoromethyl)-benzyl)amino)-piperidine-1-carbonyl)-1H-pyrazole-3-carboxamide
CID 135384277
1-(4-(2-(pyrrolidin-1-yl)-4-(trifluoromethyl)-benzyl)piperazine-1-carbonyl)-1H-pyrazole-3-carboxamide
CID 135384464

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide (CID 135384646) is N,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide is CN(C)C(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3N3CCOCC3)CC2)n1.
What is the InChIKey of N,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide?
The InChIKey is AUKCLRJDFQTRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N6O3/c1-28(2)21(33)19-5-6-32(27-19)22(34)31-9-7-29(8-10-31)16-17-3-4-18(23(24,25)26)15-20(17)30-11-13-35-14-12-30/h3-6,15H,7-14,16H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide?
N,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide has a molecular weight of 494.52 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide is sourced from PubChem (CID 135384646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).