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

C17H18F3N5O2 — CID 72905696

IUPAC4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)cc2)CC1=O
InChIInChI=1S/C17H18F3N5O2/c1-23-7-8-25(10-15(23)26)16(27)21-12-5-3-11(4-6-12)13-9-14(17(18,19)20)22-24(13)2/h3-6,9H,7-8,10H2,1-2H3,(H,21,27)
InChIKeyCTLUTLQTPJWEIJ-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.41
Rot. Bonds2

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

4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide (PubChem CID 72905696) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is 4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide
PubChem CID72905696
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC Name4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)cc2)CC1=O
InChIInChI=1S/C17H18F3N5O2/c1-23-7-8-25(10-15(23)26)16(27)21-12-5-3-11(4-6-12)13-9-14(17(18,19)20)22-24(13)2/h3-6,9H,7-8,10H2,1-2H3,(H,21,27)
InChIKeyCTLUTLQTPJWEIJ-UHFFFAOYSA-N
XLogP2.41
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 64695553
1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-[(3S)-pyrrolidin-3-yl]urea
CID 126440780
1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-[(3R)-thiolan-3-yl]urea
CID 97453265
5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 64694947
2-chloro-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 64694531
2-bromo-5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 115296951
N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 58487388
ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
CID 178058226
N-(4-chlorophenyl)-3-methyl-4-oxoimidazolidine-1-carboxamide
CID 135143194
4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide
CID 58487503
N-(4-acetylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477477
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide (CID 72905696) is 4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)cc2)CC1=O.
What is the InChIKey of 4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is CTLUTLQTPJWEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c1-23-7-8-25(10-15(23)26)16(27)21-12-5-3-11(4-6-12)13-9-14(17(18,19)20)22-24(13)2/h3-6,9H,7-8,10H2,1-2H3,(H,21,27).
What are the key properties of 4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide?
4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 381.36 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 72905696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).