1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol

C13H23N3O — CID 111114665

IUPAC1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCC(C)(C)c1[nH]ncc1CNCC1(O)CCC1
InChIInChI=1S/C13H23N3O/c1-12(2,3)11-10(8-15-16-11)7-14-9-13(17)5-4-6-13/h8,14,17H,4-7,9H2,1-3H3,(H,15,16)
InChIKeyIFQNNEXEJUJNMS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.71
Rot. Bonds4

About 1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol

1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 111114665) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol
PubChem CID111114665
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol
SMILESCC(C)(C)c1[nH]ncc1CNCC1(O)CCC1
InChIInChI=1S/C13H23N3O/c1-12(2,3)11-10(8-15-16-11)7-14-9-13(17)5-4-6-13/h8,14,17H,4-7,9H2,1-3H3,(H,15,16)
InChIKeyIFQNNEXEJUJNMS-UHFFFAOYSA-N
XLogP1.71
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol (CID 111114665) is 1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol is CC(C)(C)c1[nH]ncc1CNCC1(O)CCC1.
What is the InChIKey of 1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is IFQNNEXEJUJNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2,3)11-10(8-15-16-11)7-14-9-13(17)5-4-6-13/h8,14,17H,4-7,9H2,1-3H3,(H,15,16).
What are the key properties of 1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol?
1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 111114665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).