N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H17F3N4O3 — CID 55608969

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2ccc(OCC(N)=O)cc2)c1C(F)(F)F
InChIInChI=1S/C20H17F3N4O3/c1-12-4-2-3-5-16(12)27-18(20(21,22)23)15(10-25-27)19(29)26-13-6-8-14(9-7-13)30-11-17(24)28/h2-10H,11H2,1H3,(H2,24,28)(H,26,29)
InChIKeyCVWGDOOGZSUWPO-UHFFFAOYSA-N
MW418.38 g/mol
LogP3.32
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 55608969) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID55608969
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2ccc(OCC(N)=O)cc2)c1C(F)(F)F
InChIInChI=1S/C20H17F3N4O3/c1-12-4-2-3-5-16(12)27-18(20(21,22)23)15(10-25-27)19(29)26-13-6-8-14(9-7-13)30-11-17(24)28/h2-10H,11H2,1H3,(H2,24,28)(H,26,29)
InChIKeyCVWGDOOGZSUWPO-UHFFFAOYSA-N
XLogP3.32
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenyl)-N-(4-propylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112819239
1-(2-fluorophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821605
N-[3-(difluoromethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55778864
N-(2-amino-2-methylpropyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119630562
1-(2-methylphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56556088
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 37437633
N-(2-amino-1-cyclopropylethyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119617665
1-(2-methylphenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56555874
N-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 60562342
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511
1-(2-fluorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112820470
N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 154806675

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 55608969) is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)Nc2ccc(OCC(N)=O)cc2)c1C(F)(F)F.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CVWGDOOGZSUWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c1-12-4-2-3-5-16(12)27-18(20(21,22)23)15(10-25-27)19(29)26-13-6-8-14(9-7-13)30-11-17(24)28/h2-10H,11H2,1H3,(H2,24,28)(H,26,29).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55608969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).