2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C23H25FN4O — CID 8905902

IUPAC2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H25FN4O/c1-16-23(17(2)28(26-16)21-6-4-3-5-7-21)25-22(29)15-27(20-12-13-20)14-18-8-10-19(24)11-9-18/h3-11,20H,12-15H2,1-2H3,(H,25,29)
InChIKeyWIBCIRSGNHBLAI-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.23
Rot. Bonds7

About 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 8905902) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID8905902
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H25FN4O/c1-16-23(17(2)28(26-16)21-6-4-3-5-7-21)25-22(29)15-27(20-12-13-20)14-18-8-10-19(24)11-9-18/h3-11,20H,12-15H2,1-2H3,(H,25,29)
InChIKeyWIBCIRSGNHBLAI-UHFFFAOYSA-N
XLogP4.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8915959
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
CID 38199854
2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826187
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8712451
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 111332644
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119697911
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27119187
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 32517550
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260457

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 8905902) is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is WIBCIRSGNHBLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-16-23(17(2)28(26-16)21-6-4-3-5-7-21)25-22(29)15-27(20-12-13-20)14-18-8-10-19(24)11-9-18/h3-11,20H,12-15H2,1-2H3,(H,25,29).
What are the key properties of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 392.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 8905902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).