N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide

C9H11F2N3O2 — CID 166513218

IUPACN-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide
SMILESCn1cc(NC=O)c(OC2CC(F)(F)C2)n1
InChIInChI=1S/C9H11F2N3O2/c1-14-4-7(12-5-15)8(13-14)16-6-2-9(10,11)3-6/h4-6H,2-3H2,1H3,(H,12,15)
InChIKeyWNKQCVJPDZWJCT-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.16
Rot. Bonds4

About N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide

N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide (PubChem CID 166513218) has the molecular formula C9H11F2N3O2 and a molecular weight of 231.20 g/mol. Its IUPAC name is N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide
PubChem CID166513218
Molecular FormulaC9H11F2N3O2
Molecular Weight231.20 g/mol
Exact Mass231.08
IUPAC NameN-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide
SMILESCn1cc(NC=O)c(OC2CC(F)(F)C2)n1
InChIInChI=1S/C9H11F2N3O2/c1-14-4-7(12-5-15)8(13-14)16-6-2-9(10,11)3-6/h4-6H,2-3H2,1H3,(H,12,15)
InChIKeyWNKQCVJPDZWJCT-UHFFFAOYSA-N
XLogP1.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-1-methyl-1H-pyrazol-4-amine
CID 66509584
1-methyl-3-(propan-2-yloxy)-1H-pyrazol-4-amine
CID 66509585
1-methyl-3-(oxetan-3-yloxy)-1H-pyrazol-4-amine
CID 103079232
1-methyl-3-(propan-2-yloxy)-1H-pyrazol-4-amine hydrochloride
CID 90486277
1-ethyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazol-4-amine
CID 86207946
1-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine
CID 66509586
3-(2,2-difluoroethoxy)-1-methyl-1H-pyrazol-4-amine
CID 66509587
1-Methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine
CID 103079190
tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate
CID 122678085
[3-(Difluoromethoxy)-1-methylpyrazol-4-yl]carbamic acid
CID 135305880
tert-butyl N-[3-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutyl]carbamate
CID 135342033
3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine
CID 138481082

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide?
The IUPAC name of N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide (CID 166513218) is N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide.
What is the SMILES notation for N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide?
The canonical SMILES for N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide is Cn1cc(NC=O)c(OC2CC(F)(F)C2)n1.
What is the InChIKey of N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide?
The InChIKey is WNKQCVJPDZWJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O2/c1-14-4-7(12-5-15)8(13-14)16-6-2-9(10,11)3-6/h4-6H,2-3H2,1H3,(H,12,15).
What are the key properties of N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide?
N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide has a molecular weight of 231.20 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-difluorocyclobutyl)oxy-1-methylpyrazol-4-yl]formamide is sourced from PubChem (CID 166513218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).