N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide

C8H12FN3O — CID 58446960

IUPACN-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(CCF)C(=O)c1cnn(C)c1
InChIInChI=1S/C8H12FN3O/c1-11(4-3-9)8(13)7-5-10-12(2)6-7/h5-6H,3-4H2,1-2H3
InChIKeyRFGNDZATJOSFDZ-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.46
Rot. Bonds3

About N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide

N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 58446960) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide
PubChem CID58446960
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC NameN-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(CCF)C(=O)c1cnn(C)c1
InChIInChI=1S/C8H12FN3O/c1-11(4-3-9)8(13)7-5-10-12(2)6-7/h5-6H,3-4H2,1-2H3
InChIKeyRFGNDZATJOSFDZ-UHFFFAOYSA-N
XLogP0.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H-pyrazole-4-carbaldehyde
CID 573117
1-Ethyl-1H-pyrazole-4-carboxaldehyde
CID 2758900
1-tert-butyl-1H-pyrazole-4-carbaldehyde
CID 14510324
1-Propyl-1H-pyrazole-4-carbaldehyde
CID 4711792
1-Methyl-1H-pyrazole-4-carboxamide
CID 14579135
1-(1-Butan-2-ylpyrazol-4-yl)-2-fluoroethanone
CID 122192587
1-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CID 5230536
1-methyl-1H-pyrazole-4-carbohydrazide
CID 7017670
1-(2-Methylpropyl)-1H-pyrazole-4-carbaldehyde
CID 19576747
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 19619552
1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carbaldehyde
CID 64566567
1-(2-fluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 71756275

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide (CID 58446960) is N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide is CN(CCF)C(=O)c1cnn(C)c1.
What is the InChIKey of N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is RFGNDZATJOSFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-11(4-3-9)8(13)7-5-10-12(2)6-7/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide?
N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 185.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 58446960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).