1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol

C12H18N4O — CID 82871314

IUPAC1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol
SMILESCc1nn(Cc2ccn(C)n2)c(C)c1C(C)O
InChIInChI=1S/C12H18N4O/c1-8-12(10(3)17)9(2)16(13-8)7-11-5-6-15(4)14-11/h5-6,10,17H,7H2,1-4H3
InChIKeyBNMACBUKVKTLHT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.34
Rot. Bonds3

About 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol

1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol (PubChem CID 82871314) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol
PubChem CID82871314
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol
SMILESCc1nn(Cc2ccn(C)n2)c(C)c1C(C)O
InChIInChI=1S/C12H18N4O/c1-8-12(10(3)17)9(2)16(13-8)7-11-5-6-15(4)14-11/h5-6,10,17H,7H2,1-4H3
InChIKeyBNMACBUKVKTLHT-UHFFFAOYSA-N
XLogP1.34
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol (CID 82871314) is 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol is Cc1nn(Cc2ccn(C)n2)c(C)c1C(C)O.
What is the InChIKey of 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol?
The InChIKey is BNMACBUKVKTLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-12(10(3)17)9(2)16(13-8)7-11-5-6-15(4)14-11/h5-6,10,17H,7H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol?
1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol has a molecular weight of 234.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 82871314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).