N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide

C16H18F2N4O — CID 136563671

IUPACN-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide
SMILESCn1nccc1C1CCCN1CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H18F2N4O/c1-21-14(6-7-19-21)15-3-2-8-22(15)10-16(23)20-11-4-5-12(17)13(18)9-11/h4-7,9,15H,2-3,8,10H2,1H3,(H,20,23)
InChIKeyZBRHIYNAIAMTGD-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.47
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide

N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide (PubChem CID 136563671) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide
PubChem CID136563671
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC NameN-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide
SMILESCn1nccc1C1CCCN1CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H18F2N4O/c1-21-14(6-7-19-21)15-3-2-8-22(15)10-16(23)20-11-4-5-12(17)13(18)9-11/h4-7,9,15H,2-3,8,10H2,1H3,(H,20,23)
InChIKeyZBRHIYNAIAMTGD-UHFFFAOYSA-N
XLogP2.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 35244187
2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid
CID 25247982
N-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999278
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914369
N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 75369485
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 9405076
N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide
CID 83052500

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide (CID 136563671) is N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide is Cn1nccc1C1CCCN1CC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is ZBRHIYNAIAMTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c1-21-14(6-7-19-21)15-3-2-8-22(15)10-16(23)20-11-4-5-12(17)13(18)9-11/h4-7,9,15H,2-3,8,10H2,1H3,(H,20,23).
What are the key properties of N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 320.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 136563671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).