[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol

C11H16N4O — CID 43647412

IUPAC[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol
SMILESCc1nn(Cc2nccn2C)c(C)c1CO
InChIInChI=1S/C11H16N4O/c1-8-10(7-16)9(2)15(13-8)6-11-12-4-5-14(11)3/h4-5,16H,6-7H2,1-3H3
InChIKeyHVWDBMQVQTYLJF-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.77
Rot. Bonds3

About [3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol

[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol (PubChem CID 43647412) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is [3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol
PubChem CID43647412
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol
SMILESCc1nn(Cc2nccn2C)c(C)c1CO
InChIInChI=1S/C11H16N4O/c1-8-10(7-16)9(2)15(13-8)6-11-12-4-5-14(11)3/h4-5,16H,6-7H2,1-3H3
InChIKeyHVWDBMQVQTYLJF-UHFFFAOYSA-N
XLogP0.77
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol (CID 43647412) is [3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol is Cc1nn(Cc2nccn2C)c(C)c1CO.
What is the InChIKey of [3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol?
The InChIKey is HVWDBMQVQTYLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-10(7-16)9(2)15(13-8)6-11-12-4-5-14(11)3/h4-5,16H,6-7H2,1-3H3.
What are the key properties of [3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol?
[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol has a molecular weight of 220.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 43647412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).