N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide

C11H15F3N4O2 — CID 44757297

IUPACN,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCNC(=O)C(F)(F)F)nn1C
InChIInChI=1S/C11H15F3N4O2/c1-7-6-8(16-18(7)3)9(19)17(2)5-4-15-10(20)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,20)
InChIKeyYWQXQZWSLGUGPN-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.48
Rot. Bonds4

About N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide

N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide (PubChem CID 44757297) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide
PubChem CID44757297
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCNC(=O)C(F)(F)F)nn1C
InChIInChI=1S/C11H15F3N4O2/c1-7-6-8(16-18(7)3)9(19)17(2)5-4-15-10(20)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,20)
InChIKeyYWQXQZWSLGUGPN-UHFFFAOYSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1923948
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CID 1236015
1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3453921
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-(trifluoromethyl)pyrazole-3-carboxamide
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N,1,5-trimethyl-1H-pyrazole-3-carboxamide
CID 19279808
Pyrazole-3,5-dicarboxamide, N,N,N',N',1-pentamethyl-
CID 3035271
1-ethyl-3-methyl-1H-pyrazole-5-carbonyl isothiocyanate
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5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
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CID 2738511
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-ethyl-3-methylpiperidine-3-carboxamide
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[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
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1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide?
The IUPAC name of N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide (CID 44757297) is N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)CCNC(=O)C(F)(F)F)nn1C.
What is the InChIKey of N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide?
The InChIKey is YWQXQZWSLGUGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-7-6-8(16-18(7)3)9(19)17(2)5-4-15-10(20)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,20).
What are the key properties of N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide?
N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 44757297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).