1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol

C11H21N3O — CID 63962764

IUPAC1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
SMILESCCn1cc(CNCC(C)(O)CC)cn1
InChIInChI=1S/C11H21N3O/c1-4-11(3,15)9-12-6-10-7-13-14(5-2)8-10/h7-8,12,15H,4-6,9H2,1-3H3
InChIKeyKSMYUDJPRDNDMX-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.15
Rot. Bonds6

About 1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol

1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol (PubChem CID 63962764) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
PubChem CID63962764
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
SMILESCCn1cc(CNCC(C)(O)CC)cn1
InChIInChI=1S/C11H21N3O/c1-4-11(3,15)9-12-6-10-7-13-14(5-2)8-10/h7-8,12,15H,4-6,9H2,1-3H3
InChIKeyKSMYUDJPRDNDMX-UHFFFAOYSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanylethanamine
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3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
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2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
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CID 79804266
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CID 61349842

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol (CID 63962764) is 1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol is CCn1cc(CNCC(C)(O)CC)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol?
The InChIKey is KSMYUDJPRDNDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-11(3,15)9-12-6-10-7-13-14(5-2)8-10/h7-8,12,15H,4-6,9H2,1-3H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol?
1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 63962764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).