3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol

C9H15N3O — CID 82868484

IUPAC3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
SMILESCn1ccc(CC2(O)CC(N)C2)n1
InChIInChI=1S/C9H15N3O/c1-12-3-2-8(11-12)6-9(13)4-7(10)5-9/h2-3,7,13H,4-6,10H2,1H3
InChIKeyXZCDBUPATKWCMX-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.19
Rot. Bonds2

About 3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol

3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol (PubChem CID 82868484) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
PubChem CID82868484
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
SMILESCn1ccc(CC2(O)CC(N)C2)n1
InChIInChI=1S/C9H15N3O/c1-12-3-2-8(11-12)6-9(13)4-7(10)5-9/h2-3,7,13H,4-6,10H2,1H3
InChIKeyXZCDBUPATKWCMX-UHFFFAOYSA-N
XLogP-0.19
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869191
2-[(1-methylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-ol
CID 82870413
4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 82869439
3-[(1-methylpyrazol-3-yl)methyl]-1,1-dioxothiolan-3-ol
CID 82869427
1-ethyl-4-[(1-methylpyrazol-3-yl)methyl]azepan-4-ol
CID 82869205
[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentyl]methanamine
CID 82871482
3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole
CID 82882602
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
2,2-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 82869007
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol (CID 82868484) is 3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol is Cn1ccc(CC2(O)CC(N)C2)n1.
What is the InChIKey of 3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol?
The InChIKey is XZCDBUPATKWCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-3-2-8(11-12)6-9(13)4-7(10)5-9/h2-3,7,13H,4-6,10H2,1H3.
What are the key properties of 3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol?
3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol has a molecular weight of 181.24 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 82868484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).