4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide

C24H25F4N5O — CID 171831867

IUPAC4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(Cc2ccc(C3=NN=C(C(F)(F)F)C3)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H25F4N5O/c1-2-31-11-13-32(14-12-31)23(34)33(20-9-7-19(25)8-10-20)16-17-3-5-18(6-4-17)21-15-22(30-29-21)24(26,27)28/h3-10H,2,11-16H2,1H3
InChIKeyKFBMKVSOJYNIER-UHFFFAOYSA-N
MW475.49 g/mol
LogP4.70
Rot. Bonds5

About 4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide

4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide (PubChem CID 171831867) has the molecular formula C24H25F4N5O and a molecular weight of 475.49 g/mol. Its IUPAC name is 4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide
PubChem CID171831867
Molecular FormulaC24H25F4N5O
Molecular Weight475.49 g/mol
Exact Mass475.20
IUPAC Name4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(Cc2ccc(C3=NN=C(C(F)(F)F)C3)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H25F4N5O/c1-2-31-11-13-32(14-12-31)23(34)33(20-9-7-19(25)8-10-20)16-17-3-5-18(6-4-17)21-15-22(30-29-21)24(26,27)28/h3-10H,2,11-16H2,1H3
InChIKeyKFBMKVSOJYNIER-UHFFFAOYSA-N
XLogP4.70
TPSA51.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]phenyl]methyl]-4-ethyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 157495310
N-[[(3Z)-3-[amino-(1-amino-2,2,2-trifluoroethoxy)methylidene]-2H-pyridin-6-yl]methyl]-4-ethyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 167496813
4-ethyl-N-(3-methoxyphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperazine-1-carboxamide
CID 140894431
methyl 4-[(N-(4-ethylpiperazine-1-carbonyl)anilino)methyl]benzoate
CID 134584602
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641
N-(4-fluorophenyl)-N-[[4-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]phenyl]methyl]pentanamide
CID 134537223
4-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 52673339
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 71938987
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-ethyl-N-(4-fluorophenyl)piperazine-1-carboximidamide
CID 171831881
4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413646
N-(3-chloro-2-fluorophenyl)-N-[[4-[5-(difluoromethyl)-4H-pyrazol-3-yl]-2-fluorophenyl]methyl]-4-ethylpiperazine-1-carboxamide
CID 171832088
4-[[N-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4-[(4-ethylpiperazin-1-yl)methyl]anilino]methyl]-3-fluorobenzoic acid
CID 151303799

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide (CID 171831867) is 4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide is CCN1CCN(C(=O)N(Cc2ccc(C3=NN=C(C(F)(F)F)C3)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is KFBMKVSOJYNIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N5O/c1-2-31-11-13-32(14-12-31)23(34)33(20-9-7-19(25)8-10-20)16-17-3-5-18(6-4-17)21-15-22(30-29-21)24(26,27)28/h3-10H,2,11-16H2,1H3.
What are the key properties of 4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide?
4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 475.49 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-fluorophenyl)-N-[[4-[5-(trifluoromethyl)-4H-pyrazol-3-yl]phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 171831867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).