3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol

C10H17N3O — CID 66006795

IUPAC3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNCCn2cccn2)C1
InChIInChI=1S/C10H17N3O/c14-10-6-9(7-10)8-11-3-5-13-4-1-2-12-13/h1-2,4,9-11,14H,3,5-8H2
InChIKeyIHFONSOZTCVFGJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.24
Rot. Bonds5

About 3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol

3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol (PubChem CID 66006795) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol
PubChem CID66006795
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNCCn2cccn2)C1
InChIInChI=1S/C10H17N3O/c14-10-6-9(7-10)8-11-3-5-13-4-1-2-12-13/h1-2,4,9-11,14H,3,5-8H2
InChIKeyIHFONSOZTCVFGJ-UHFFFAOYSA-N
XLogP0.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
CID 61463105
2-pyrazol-1-yl-N-(thian-2-ylmethyl)ethanamine
CID 80600411
1-cyclopropyl-2-(2-pyrazol-1-ylethylamino)ethanol
CID 63299027
(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol
CID 115278412
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529
2-(1-methylpiperidin-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 114515462
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
N-[(1-methylcyclopropyl)methyl]-2-pyrazol-1-ylethanamine
CID 107165972
3-(2-pyrazol-1-ylethylamino)propanamide
CID 61463114
3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832734
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 79607356

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol (CID 66006795) is 3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol is OC1CC(CNCCn2cccn2)C1.
What is the InChIKey of 3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol?
The InChIKey is IHFONSOZTCVFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c14-10-6-9(7-10)8-11-3-5-13-4-1-2-12-13/h1-2,4,9-11,14H,3,5-8H2.
What are the key properties of 3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol?
3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyrazol-1-ylethylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 66006795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).