1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol

C16H31N3O — CID 109480928

IUPAC1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
SMILESCc1nn(C(C)(C)C)c(C)c1CNCC(O)CC(C)C
InChIInChI=1S/C16H31N3O/c1-11(2)8-14(20)9-17-10-15-12(3)18-19(13(15)4)16(5,6)7/h11,14,17,20H,8-10H2,1-7H3
InChIKeyGIGCHNFZOXMPLY-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.75
Rot. Bonds6

About 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol

1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol (PubChem CID 109480928) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
PubChem CID109480928
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
SMILESCc1nn(C(C)(C)C)c(C)c1CNCC(O)CC(C)C
InChIInChI=1S/C16H31N3O/c1-11(2)8-14(20)9-17-10-15-12(3)18-19(13(15)4)16(5,6)7/h11,14,17,20H,8-10H2,1-7H3
InChIKeyGIGCHNFZOXMPLY-UHFFFAOYSA-N
XLogP2.75
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol (CID 109480928) is 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol is Cc1nn(C(C)(C)C)c(C)c1CNCC(O)CC(C)C.
What is the InChIKey of 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol?
The InChIKey is GIGCHNFZOXMPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-11(2)8-14(20)9-17-10-15-12(3)18-19(13(15)4)16(5,6)7/h11,14,17,20H,8-10H2,1-7H3.
What are the key properties of 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol?
1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol has a molecular weight of 281.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 109480928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).