1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine

C8H13N3O — CID 102804176

IUPAC1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine
SMILESCc1nn(C)cc1NC1COC1
InChIInChI=1S/C8H13N3O/c1-6-8(3-11(2)10-6)9-7-4-12-5-7/h3,7,9H,4-5H2,1-2H3
InChIKeyHSBLZSIIMUCXSQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.54
Rot. Bonds2

About 1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine

1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine (PubChem CID 102804176) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine
PubChem CID102804176
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine
SMILESCc1nn(C)cc1NC1COC1
InChIInChI=1S/C8H13N3O/c1-6-8(3-11(2)10-6)9-7-4-12-5-7/h3,7,9H,4-5H2,1-2H3
InChIKeyHSBLZSIIMUCXSQ-UHFFFAOYSA-N
XLogP0.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine
CID 104955922
3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine
CID 107462340
1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
CID 103562440
3-(methoxymethyl)-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine
CID 130702708
N-(3-cyclopropylcyclohexyl)-1,3-dimethylpyrazol-4-amine
CID 104955790
1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide
CID 102801920
N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine
CID 104956005
N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine
CID 102804462
N-(1,3-dimethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 102804021
1,3-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-4-amine
CID 104955825
3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione
CID 102804739
1,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-4-amine
CID 130708465

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine (CID 102804176) is 1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine is Cc1nn(C)cc1NC1COC1.
What is the InChIKey of 1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine?
The InChIKey is HSBLZSIIMUCXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-8(3-11(2)10-6)9-7-4-12-5-7/h3,7,9H,4-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine?
1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine has a molecular weight of 167.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 102804176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).