N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide

C8H9F2N3O — CID 126776789

IUPACN-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1cn[nH]c1
InChIInChI=1S/C8H9F2N3O/c9-8(10)1-6(2-8)13-7(14)5-3-11-12-4-5/h3-4,6H,1-2H2,(H,11,12)(H,13,14)
InChIKeyDPZJTLDXWAOYMO-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.94
Rot. Bonds2

About N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide

N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide (PubChem CID 126776789) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
PubChem CID126776789
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC NameN-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1cn[nH]c1
InChIInChI=1S/C8H9F2N3O/c9-8(10)1-6(2-8)13-7(14)5-3-11-12-4-5/h3-4,6H,1-2H2,(H,11,12)(H,13,14)
InChIKeyDPZJTLDXWAOYMO-UHFFFAOYSA-N
XLogP0.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide (CID 126776789) is N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide is O=C(NC1CC(F)(F)C1)c1cn[nH]c1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DPZJTLDXWAOYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-8(10)1-6(2-8)13-7(14)5-3-11-12-4-5/h3-4,6H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide?
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide has a molecular weight of 201.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126776789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).