4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol

C12H23N3O — CID 117068366

IUPAC4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol
SMILESCc1ccn(CC(O)C(C)(C)CN(C)C)n1
InChIInChI=1S/C12H23N3O/c1-10-6-7-15(13-10)8-11(16)12(2,3)9-14(4)5/h6-7,11,16H,8-9H2,1-5H3
InChIKeyDWLDAVKVSDOPBS-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.14
Rot. Bonds5

About 4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol

4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol (PubChem CID 117068366) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol
PubChem CID117068366
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol
SMILESCc1ccn(CC(O)C(C)(C)CN(C)C)n1
InChIInChI=1S/C12H23N3O/c1-10-6-7-15(13-10)8-11(16)12(2,3)9-14(4)5/h6-7,11,16H,8-9H2,1-5H3
InChIKeyDWLDAVKVSDOPBS-UHFFFAOYSA-N
XLogP1.14
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol?
The IUPAC name of 4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol (CID 117068366) is 4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol.
What is the SMILES notation for 4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol?
The canonical SMILES for 4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol is Cc1ccn(CC(O)C(C)(C)CN(C)C)n1.
What is the InChIKey of 4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol?
The InChIKey is DWLDAVKVSDOPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-6-7-15(13-10)8-11(16)12(2,3)9-14(4)5/h6-7,11,16H,8-9H2,1-5H3.
What are the key properties of 4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol?
4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3,3-dimethyl-1-(3-methylpyrazol-1-yl)butan-2-ol is sourced from PubChem (CID 117068366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).