(1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol

C13H20N4O2 — CID 103572559

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2c(OC)cnn2CC)cn1
InChIInChI=1S/C13H20N4O2/c1-4-6-16-9-10(7-14-16)13(18)12-11(19-3)8-15-17(12)5-2/h7-9,13,18H,4-6H2,1-3H3
InChIKeyKLIWQJGIBRXZGY-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.60
Rot. Bonds6

About (1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol

(1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol (PubChem CID 103572559) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
PubChem CID103572559
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2c(OC)cnn2CC)cn1
InChIInChI=1S/C13H20N4O2/c1-4-6-16-9-10(7-14-16)13(18)12-11(19-3)8-15-17(12)5-2/h7-9,13,18H,4-6H2,1-3H3
InChIKeyKLIWQJGIBRXZGY-UHFFFAOYSA-N
XLogP1.60
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-pyridin-4-ylmethanol
CID 114634373
4-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]benzonitrile
CID 114637571
(3,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 107978711
(3,5-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114635408
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105130169
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-4-methoxyphenyl)methanol
CID 114636339
furan-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114635264
(4-bromo-3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645987
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
(3-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114638058
2,3-dihydro-1H-inden-5-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837075

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol (CID 103572559) is (1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)c2c(OC)cnn2CC)cn1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol?
The InChIKey is KLIWQJGIBRXZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-6-16-9-10(7-14-16)13(18)12-11(19-3)8-15-17(12)5-2/h7-9,13,18H,4-6H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol?
(1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol has a molecular weight of 264.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 103572559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).