(1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol

C12H18N4O — CID 83091487

IUPAC(1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cn(C)nc2C)cn1
InChIInChI=1S/C12H18N4O/c1-4-5-16-7-10(6-13-16)12(17)11-8-15(3)14-9(11)2/h6-8,12,17H,4-5H2,1-3H3
InChIKeyUFAOYIBZSVZJSA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.42
Rot. Bonds4

About (1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol

(1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol (PubChem CID 83091487) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol
PubChem CID83091487
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cn(C)nc2C)cn1
InChIInChI=1S/C12H18N4O/c1-4-5-16-7-10(6-13-16)12(17)11-8-15(3)14-9(11)2/h6-8,12,17H,4-5H2,1-3H3
InChIKeyUFAOYIBZSVZJSA-UHFFFAOYSA-N
XLogP1.42
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methanol
CID 66118416
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638030
(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol
CID 83090741
(3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114023332
(1,3-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methanol
CID 83091118
(1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol
CID 116542830
1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
CID 83090747
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114981635
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
(4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 83092098
(4-bromo-1-ethylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638019

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol (CID 83091487) is (1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)c2cn(C)nc2C)cn1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol?
The InChIKey is UFAOYIBZSVZJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-5-16-7-10(6-13-16)12(17)11-8-15(3)14-9(11)2/h6-8,12,17H,4-5H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol?
(1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol has a molecular weight of 234.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 83091487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).