N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide

C25H27F3N4O3 — CID 11656072

IUPACN-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(C(=O)NCC(C)(C)C)cn2)c1
InChIInChI=1S/C25H27F3N4O3/c1-15-6-7-16(23(34)31-19-11-18(25(26,27)28)8-9-21(19)35-5)10-20(15)32-13-17(12-30-32)22(33)29-14-24(2,3)4/h6-13H,14H2,1-5H3,(H,29,33)(H,31,34)
InChIKeyULWCOENWSOEERP-UHFFFAOYSA-N
MW488.51 g/mol
LogP5.24
Rot. Bonds6

About N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide

N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide (PubChem CID 11656072) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide
PubChem CID11656072
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC NameN-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(C(=O)NCC(C)(C)C)cn2)c1
InChIInChI=1S/C25H27F3N4O3/c1-15-6-7-16(23(34)31-19-11-18(25(26,27)28)8-9-21(19)35-5)10-20(15)32-13-17(12-30-32)22(33)29-14-24(2,3)4/h6-13H,14H2,1-5H3,(H,29,33)(H,31,34)
InChIKeyULWCOENWSOEERP-UHFFFAOYSA-N
XLogP5.24
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(2-methoxy-5-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 7992588
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-(4-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884919
1-(3-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884949
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-(2-hydroxyphenyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46885000
3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67608489
3-ethyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67615692
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67616695
6-fluoro-3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67617451
7-fluoro-3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67652456
3-isopropyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 129259202

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide (CID 11656072) is N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide is COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(C(=O)NCC(C)(C)C)cn2)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide?
The InChIKey is ULWCOENWSOEERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c1-15-6-7-16(23(34)31-19-11-18(25(26,27)28)8-9-21(19)35-5)10-20(15)32-13-17(12-30-32)22(33)29-14-24(2,3)4/h6-13H,14H2,1-5H3,(H,29,33)(H,31,34).
What are the key properties of N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide?
N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-[5-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 11656072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).