N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

C11H16FN3O — CID 126793751

IUPACN-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2CC(C)(F)C2)c1C
InChIInChI=1S/C11H16FN3O/c1-6-7(2)14-15-9(6)10(16)13-8-4-11(3,12)5-8/h8H,4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyMWZNLGIZLBZHEF-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.65
Rot. Bonds2

About N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 126793751) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID126793751
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2CC(C)(F)C2)c1C
InChIInChI=1S/C11H16FN3O/c1-6-7(2)14-15-9(6)10(16)13-8-4-11(3,12)5-8/h8H,4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyMWZNLGIZLBZHEF-UHFFFAOYSA-N
XLogP1.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 126793751) is N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC2CC(C)(F)C2)c1C.
What is the InChIKey of N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is MWZNLGIZLBZHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-6-7(2)14-15-9(6)10(16)13-8-4-11(3,12)5-8/h8H,4-5H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-3-methylcyclobutyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126793751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).