1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide

C8H10FN3O — CID 130771020

IUPAC1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1(F)CCC1
InChIInChI=1S/C8H10FN3O/c9-8(3-1-4-8)7(13)11-6-2-5-10-12-6/h2,5H,1,3-4H2,(H2,10,11,12,13)
InChIKeyMWGIYIMHUPNMIJ-UHFFFAOYSA-N
MW183.19 g/mol
LogP1.24
Rot. Bonds2

About 1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide

1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide (PubChem CID 130771020) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide
PubChem CID130771020
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1(F)CCC1
InChIInChI=1S/C8H10FN3O/c9-8(3-1-4-8)7(13)11-6-2-5-10-12-6/h2,5H,1,3-4H2,(H2,10,11,12,13)
InChIKeyMWGIYIMHUPNMIJ-UHFFFAOYSA-N
XLogP1.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide (CID 130771020) is 1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide is O=C(Nc1ccn[nH]1)C1(F)CCC1.
What is the InChIKey of 1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide?
The InChIKey is MWGIYIMHUPNMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c9-8(3-1-4-8)7(13)11-6-2-5-10-12-6/h2,5H,1,3-4H2,(H2,10,11,12,13).
What are the key properties of 1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide?
1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide has a molecular weight of 183.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 130771020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).