2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol

C15H20N4O — CID 114629007

IUPAC2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C15H20N4O/c1-15(2)12(6-13(15)20)17-8-11-9-18-19-14(11)10-4-3-5-16-7-10/h3-5,7,9,12-13,17,20H,6,8H2,1-2H3,(H,18,19)
InChIKeyOVACTLMJUIYCRD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.72
Rot. Bonds4

About 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol

2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol (PubChem CID 114629007) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
PubChem CID114629007
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C15H20N4O/c1-15(2)12(6-13(15)20)17-8-11-9-18-19-14(11)10-4-3-5-16-7-10/h3-5,7,9,12-13,17,20H,6,8H2,1-2H3,(H,18,19)
InChIKeyOVACTLMJUIYCRD-UHFFFAOYSA-N
XLogP1.72
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol (CID 114629007) is 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol is CC1(C)C(O)CC1NCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol?
The InChIKey is OVACTLMJUIYCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2)12(6-13(15)20)17-8-11-9-18-19-14(11)10-4-3-5-16-7-10/h3-5,7,9,12-13,17,20H,6,8H2,1-2H3,(H,18,19).
What are the key properties of 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol is sourced from PubChem (CID 114629007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).