N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C20H22F3N5O2 — CID 46969513

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCOc1cc(NC(=O)CCn2nc(C(F)(F)F)cc2C)ccc1-n1nc(C)cc1C
InChIInChI=1S/C20H22F3N5O2/c1-12-9-14(3)28(25-12)16-6-5-15(11-17(16)30-4)24-19(29)7-8-27-13(2)10-18(26-27)20(21,22)23/h5-6,9-11H,7-8H2,1-4H3,(H,24,29)
InChIKeyCNOPUGGHJOGTCR-UHFFFAOYSA-N
MW421.42 g/mol
LogP4.05
Rot. Bonds6

About N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 46969513) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID46969513
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCOc1cc(NC(=O)CCn2nc(C(F)(F)F)cc2C)ccc1-n1nc(C)cc1C
InChIInChI=1S/C20H22F3N5O2/c1-12-9-14(3)28(25-12)16-6-5-15(11-17(16)30-4)24-19(29)7-8-27-13(2)10-18(26-27)20(21,22)23/h5-6,9-11H,7-8H2,1-4H3,(H,24,29)
InChIKeyCNOPUGGHJOGTCR-UHFFFAOYSA-N
XLogP4.05
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566145
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519269
N-(1-methylpyrazol-3-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563695
methyl 1-methyl-4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-3-carboxylate
CID 19341558
1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide
CID 19563725
N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide
CID 46323299
2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]acetamide
CID 75490652
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519175
N-(2-hydroxyethyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566161
N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 5299210
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553830
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566096

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 46969513) is N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is COc1cc(NC(=O)CCn2nc(C(F)(F)F)cc2C)ccc1-n1nc(C)cc1C.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is CNOPUGGHJOGTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-12-9-14(3)28(25-12)16-6-5-15(11-17(16)30-4)24-19(29)7-8-27-13(2)10-18(26-27)20(21,22)23/h5-6,9-11H,7-8H2,1-4H3,(H,24,29).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 421.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 46969513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).