1-(1-fluorocyclopropyl)pyrazole-4-carboxamide

C7H8FN3O — CID 178179771

IUPAC1-(1-fluorocyclopropyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2(F)CC2)c1
InChIInChI=1S/C7H8FN3O/c8-7(1-2-7)11-4-5(3-10-11)6(9)12/h3-4H,1-2H2,(H2,9,12)
InChIKeyOYOGMMPDZBRRAU-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.40
Rot. Bonds2

About 1-(1-fluorocyclopropyl)pyrazole-4-carboxamide

1-(1-fluorocyclopropyl)pyrazole-4-carboxamide (PubChem CID 178179771) has the molecular formula C7H8FN3O and a molecular weight of 169.16 g/mol. Its IUPAC name is 1-(1-fluorocyclopropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-fluorocyclopropyl)pyrazole-4-carboxamide
PubChem CID178179771
Molecular FormulaC7H8FN3O
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Name1-(1-fluorocyclopropyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2(F)CC2)c1
InChIInChI=1S/C7H8FN3O/c8-7(1-2-7)11-4-5(3-10-11)6(9)12/h3-4H,1-2H2,(H2,9,12)
InChIKeyOYOGMMPDZBRRAU-UHFFFAOYSA-N
XLogP0.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H-pyrazole-4-carboxamide
CID 14579135
1-methyl-1H-pyrazole-4-carbohydrazide
CID 7017670
1-Cyclopropyl-1H-pyrazole-4-carboxaldehyde
CID 57416914
1-(2-fluoroethyl)-1H-pyrazole-4-carbaldehyde
CID 71756275
1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
CID 122164183
1-Methylpyrazole-4-carbonyl fluoride
CID 89458229
methyl 3-(4-carbamoyl-1H-pyrazol-1-yl)propanoate
CID 50896619
1-(2,2-difluorocyclopropyl)-1H-pyrazole-4-carbaldehyde
CID 137951603
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclopropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(1-fluorocyclopropyl)pyrazole-4-carboxamide (CID 178179771) is 1-(1-fluorocyclopropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1-fluorocyclopropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(1-fluorocyclopropyl)pyrazole-4-carboxamide is NC(=O)c1cnn(C2(F)CC2)c1.
What is the InChIKey of 1-(1-fluorocyclopropyl)pyrazole-4-carboxamide?
The InChIKey is OYOGMMPDZBRRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O/c8-7(1-2-7)11-4-5(3-10-11)6(9)12/h3-4H,1-2H2,(H2,9,12).
What are the key properties of 1-(1-fluorocyclopropyl)pyrazole-4-carboxamide?
1-(1-fluorocyclopropyl)pyrazole-4-carboxamide has a molecular weight of 169.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclopropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 178179771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).