3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C13H12F3N3O2 — CID 70732817

IUPAC3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(F)(F)F)[nH]n2)cc1
InChIInChI=1S/C13H12F3N3O2/c1-21-9-4-2-8(3-5-9)10-6-11(19-18-10)12(20)17-7-13(14,15)16/h2-6H,7H2,1H3,(H,17,20)(H,18,19)
InChIKeyMMKFQYIEZDOGHP-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.38
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 70732817) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID70732817
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC(F)(F)F)[nH]n2)cc1
InChIInChI=1S/C13H12F3N3O2/c1-21-9-4-2-8(3-5-9)10-6-11(19-18-10)12(20)17-7-13(14,15)16/h2-6H,7H2,1H3,(H,17,20)(H,18,19)
InChIKeyMMKFQYIEZDOGHP-UHFFFAOYSA-N
XLogP2.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743
3-(4-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 46978105
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 72910598
N-[2-(2-hydroxyethoxy)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71713187
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
3-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19508730
N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70783506
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857010
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20864956

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 70732817) is 3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCC(F)(F)F)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MMKFQYIEZDOGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-21-9-4-2-8(3-5-9)10-6-11(19-18-10)12(20)17-7-13(14,15)16/h2-6H,7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70732817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).