(3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone

C8H10FN3O — CID 58446859

IUPAC(3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CC(F)C2)cn1
InChIInChI=1S/C8H10FN3O/c1-11-3-6(2-10-11)8(13)12-4-7(9)5-12/h2-3,7H,4-5H2,1H3
InChIKeyUZQSMCCYYWQBNH-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.21
Rot. Bonds1

About (3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone

(3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 58446859) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
PubChem CID58446859
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name(3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CC(F)C2)cn1
InChIInChI=1S/C8H10FN3O/c1-11-3-6(2-10-11)8(13)12-4-7(9)5-12/h2-3,7H,4-5H2,1H3
InChIKeyUZQSMCCYYWQBNH-UHFFFAOYSA-N
XLogP0.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H-pyrazole-4-carboxamide
CID 14579135
1-(2-Methylpropyl)-1H-pyrazole-4-carbaldehyde
CID 19576747
1-Methylpyrazole-4-carbonyl fluoride
CID 89458229
1-ethyl-1H-pyrazole-4-carboxamide
CID 22456653
1-Methyl-1h-pyrazole-4-carbonyl isothiocyanate
CID 43514663
1-Propyl-1h-pyrazole-4-carboxamide
CID 53845262
1-isobutyl-1H-pyrazole-4-carboxamide
CID 58125107
N-methoxy-N,1-dimethyl-1H-pyrazole-4-carboxamide
CID 58477471
1-Pentyl-1h-pyrazole-4-carboxamide
CID 124140305
1-Butyl-1h-pyrazole-4-carboxamide
CID 129840483
N-[(1S)-1-cyclopropylethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 40143640
1-methyl-N,N-dipropylpyrazole-4-carboxamide
CID 51073390

Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone (CID 58446859) is (3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CC(F)C2)cn1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is UZQSMCCYYWQBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-11-3-6(2-10-11)8(13)12-4-7(9)5-12/h2-3,7H,4-5H2,1H3.
What are the key properties of (3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone?
(3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 183.19 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 58446859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).