N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C12H18F2N4O — CID 155956876

IUPACN-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCC1CC(F)(F)CN1
InChIInChI=1S/C12H18F2N4O/c1-7-10(8(2)18-17-7)3-11(19)15-5-9-4-12(13,14)6-16-9/h9,16H,3-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHOYGEDJWVWXYMD-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.68
Rot. Bonds4

About N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 155956876) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID155956876
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC NameN-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCC1CC(F)(F)CN1
InChIInChI=1S/C12H18F2N4O/c1-7-10(8(2)18-17-7)3-11(19)15-5-9-4-12(13,14)6-16-9/h9,16H,3-6H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHOYGEDJWVWXYMD-UHFFFAOYSA-N
XLogP0.68
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 155956876) is N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)NCC1CC(F)(F)CN1.
What is the InChIKey of N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is HOYGEDJWVWXYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-7-10(8(2)18-17-7)3-11(19)15-5-9-4-12(13,14)6-16-9/h9,16H,3-6H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 272.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 155956876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).