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

C20H22F3N5O — CID 19566139

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)CCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C20H22F3N5O/c1-13-11-18(20(21,22)23)26-27(13)10-9-19(29)24-12-17-14(2)25-28(15(17)3)16-7-5-4-6-8-16/h4-8,11H,9-10,12H2,1-3H3,(H,24,29)
InChIKeyPGXHIRXQIFMIPT-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.72
Rot. Bonds6

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

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19566139) has the molecular formula C20H22F3N5O and a molecular weight of 405.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19566139
Molecular FormulaC20H22F3N5O
Molecular Weight405.42 g/mol
Exact Mass405.18
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)CCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C20H22F3N5O/c1-13-11-18(20(21,22)23)26-27(13)10-9-19(29)24-12-17-14(2)25-28(15(17)3)16-7-5-4-6-8-16/h4-8,11H,9-10,12H2,1-3H3,(H,24,29)
InChIKeyPGXHIRXQIFMIPT-UHFFFAOYSA-N
XLogP3.72
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 134013965
N-(2-hydroxyethyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566161
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide
CID 46653199
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 134013923
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565843
3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46968211
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19282557
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523626
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 55759911
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 134013955

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19566139) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is PGXHIRXQIFMIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O/c1-13-11-18(20(21,22)23)26-27(13)10-9-19(29)24-12-17-14(2)25-28(15(17)3)16-7-5-4-6-8-16/h4-8,11H,9-10,12H2,1-3H3,(H,24,29).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 405.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19566139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).