1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol

C9H16N4O — CID 103078928

IUPAC1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol
SMILESCn1cc(N)c(NCC2(O)CCC2)n1
InChIInChI=1S/C9H16N4O/c1-13-5-7(10)8(12-13)11-6-9(14)3-2-4-9/h5,14H,2-4,6,10H2,1H3,(H,11,12)
InChIKeyFWFPYVJEEBLPLJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.33
Rot. Bonds3

About 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol

1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 103078928) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol
PubChem CID103078928
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol
SMILESCn1cc(N)c(NCC2(O)CCC2)n1
InChIInChI=1S/C9H16N4O/c1-13-5-7(10)8(12-13)11-6-9(14)3-2-4-9/h5,14H,2-4,6,10H2,1H3,(H,11,12)
InChIKeyFWFPYVJEEBLPLJ-UHFFFAOYSA-N
XLogP0.33
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol (CID 103078928) is 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol is Cn1cc(N)c(NCC2(O)CCC2)n1.
What is the InChIKey of 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is FWFPYVJEEBLPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-5-7(10)8(12-13)11-6-9(14)3-2-4-9/h5,14H,2-4,6,10H2,1H3,(H,11,12).
What are the key properties of 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol?
1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 103078928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).