[1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol

C10H17N3O — CID 119053274

IUPAC[1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol
SMILESCn1cc(C(N)C2(CO)CCC2)cn1
InChIInChI=1S/C10H17N3O/c1-13-6-8(5-12-13)9(11)10(7-14)3-2-4-10/h5-6,9,14H,2-4,7,11H2,1H3
InChIKeyNDTCLHJOLSPMTE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.58
Rot. Bonds3

About [1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol

[1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol (PubChem CID 119053274) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol
PubChem CID119053274
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol
SMILESCn1cc(C(N)C2(CO)CCC2)cn1
InChIInChI=1S/C10H17N3O/c1-13-6-8(5-12-13)9(11)10(7-14)3-2-4-10/h5-6,9,14H,2-4,7,11H2,1H3
InChIKeyNDTCLHJOLSPMTE-UHFFFAOYSA-N
XLogP0.58
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Methyl-1H-pyrazol-4-yl)propan-1-ol
CID 18801405
3-amino-2-((1-methyl-1H-pyrazol-4-yl)methyl)propan-1-ol dihydrochloride
CID 91662899
rac-((3R,4S)-4-(1-(propan-2-yl)-1H-pyrazol-4-yl)pyrrolidin-3-yl)methanol
CID 119031216
2-amino-3-(1-methyl-1H-pyrazol-4-yl)propan-1-ol dihydrochloride
CID 121553570
{1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl}methanol
CID 70769190
3-Amino-2-[(1-methyl-1H-pyrazol-4-yl)methyl]propan-1-ol
CID 43199852
2-amino-3-(1-methyl-1H-pyrazol-4-yl)propan-1-ol
CID 55254473
1,1,1-Trifluoro-3-[[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 122154384
3-fluoropropyl N-[(R)-[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate
CID 164638093
1-(1-Ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024967
5,6,6-Trimethyl-1-(1-methylpyrazol-4-yl)heptan-3-ol
CID 103027764
1-[1-(2-Methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027766

Frequently Asked Questions

What is the IUPAC name of [1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol (CID 119053274) is [1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol is Cn1cc(C(N)C2(CO)CCC2)cn1.
What is the InChIKey of [1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol?
The InChIKey is NDTCLHJOLSPMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-6-8(5-12-13)9(11)10(7-14)3-2-4-10/h5-6,9,14H,2-4,7,11H2,1H3.
What are the key properties of [1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol?
[1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol has a molecular weight of 195.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino-(1-methylpyrazol-4-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 119053274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).