[1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol

C10H17N3O — CID 79135001

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

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

[1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol (PubChem CID 79135001) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol
PubChem CID79135001
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)C2(CN)CCC2)cn1
InChIInChI=1S/C10H17N3O/c1-13-6-8(5-12-13)9(14)10(7-11)3-2-4-10/h5-6,9,14H,2-4,7,11H2,1H3
InChIKeyLUHJEOMPZIYKOU-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

[1-(aminomethyl)cyclohexyl]-(1-propan-2-ylpyrazol-4-yl)methanol
CID 114075823
(1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol
CID 106830809
[1-(aminomethyl)-4-methylcyclohexyl]-(1-ethylpyrazol-4-yl)methanol
CID 103570954
[1-(aminomethyl)cyclobutyl]-(2-methylpyrazol-3-yl)methanol
CID 102547567
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol
CID 79135632
[1-(aminomethyl)cyclobutyl]-(furan-3-yl)methanol
CID 79138177
[1-(aminomethyl)cyclopentyl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 112671560
[(1-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288735
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol
CID 79138573
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115448781
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol
CID 103570945

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol (CID 79135001) is [1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)C2(CN)CCC2)cn1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol?
The InChIKey is LUHJEOMPZIYKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-6-8(5-12-13)9(14)10(7-11)3-2-4-10/h5-6,9,14H,2-4,7,11H2,1H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol?
[1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)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-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 79135001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).