[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol

C12H18N4O — CID 114541583

IUPAC[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol
SMILESCc1cc(C)n(CCCn2cncc2CO)n1
InChIInChI=1S/C12H18N4O/c1-10-6-11(2)16(14-10)5-3-4-15-9-13-7-12(15)8-17/h6-7,9,17H,3-5,8H2,1-2H3
InChIKeyJRKUUXUUIRDOGJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds5

About [3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol

[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol (PubChem CID 114541583) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is [3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol
PubChem CID114541583
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol
SMILESCc1cc(C)n(CCCn2cncc2CO)n1
InChIInChI=1S/C12H18N4O/c1-10-6-11(2)16(14-10)5-3-4-15-9-13-7-12(15)8-17/h6-7,9,17H,3-5,8H2,1-2H3
InChIKeyJRKUUXUUIRDOGJ-UHFFFAOYSA-N
XLogP1.28
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114541567
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
CID 114541560
3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol
CID 22988642
1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 114707725
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536380
[3-(5,5,5-trifluoropentyl)imidazol-4-yl]methanol
CID 115522977
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
5-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 46980513
1-(6-chlorohexyl)-3,5-dimethylpyrazole
CID 62227990
4-bromo-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrole-2-carboxylic acid
CID 114606969
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid
CID 114539880
1-[3-[5-(2,2-dimethyl-3H-1-benzofuran-5-yl)imidazol-1-yl]propyl]-3,5-dimethylpyrazole
CID 46980299

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol (CID 114541583) is [3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol is Cc1cc(C)n(CCCn2cncc2CO)n1.
What is the InChIKey of [3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol?
The InChIKey is JRKUUXUUIRDOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10-6-11(2)16(14-10)5-3-4-15-9-13-7-12(15)8-17/h6-7,9,17H,3-5,8H2,1-2H3.
What are the key properties of [3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol?
[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol has a molecular weight of 234.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol is sourced from PubChem (CID 114541583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).