2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide

C9H11F2N3O — CID 154759950

IUPAC2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CC1CC(F)(F)C1)Nc1cn[nH]c1
InChIInChI=1S/C9H11F2N3O/c10-9(11)2-6(3-9)1-8(15)14-7-4-12-13-5-7/h4-6H,1-3H2,(H,12,13)(H,14,15)
InChIKeyPTYIMYLRQSHXHS-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.78
Rot. Bonds3

About 2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide

2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 154759950) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide
PubChem CID154759950
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CC1CC(F)(F)C1)Nc1cn[nH]c1
InChIInChI=1S/C9H11F2N3O/c10-9(11)2-6(3-9)1-8(15)14-7-4-12-13-5-7/h4-6H,1-3H2,(H,12,13)(H,14,15)
InChIKeyPTYIMYLRQSHXHS-UHFFFAOYSA-N
XLogP1.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide hydrochloride
CID 165469821
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
CID 43430688
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclobutanecarboxamide
CID 60322790
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclobutanecarboxamide
CID 60324025
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60506980
4,4,4-trifluoro-N-(1H-pyrazol-4-yl)butanamide
CID 65711581
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 81179351
N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932742
4,4-difluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 81932743
2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide
CID 103732782

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide (CID 154759950) is 2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide is O=C(CC1CC(F)(F)C1)Nc1cn[nH]c1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is PTYIMYLRQSHXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-9(11)2-6(3-9)1-8(15)14-7-4-12-13-5-7/h4-6H,1-3H2,(H,12,13)(H,14,15).
What are the key properties of 2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide?
2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 215.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 154759950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).