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

C16H26N4O — CID 64778119

IUPAC1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol
SMILESCCC(CC)n1ccc(Cn2nc(C)c(C(C)O)c2C)n1
InChIInChI=1S/C16H26N4O/c1-6-15(7-2)19-9-8-14(18-19)10-20-12(4)16(13(5)21)11(3)17-20/h8-9,13,15,21H,6-7,10H2,1-5H3
InChIKeySZMFPWGUGYDRDU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.16
Rot. Bonds6

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

1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol (PubChem CID 64778119) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol
PubChem CID64778119
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol
SMILESCCC(CC)n1ccc(Cn2nc(C)c(C(C)O)c2C)n1
InChIInChI=1S/C16H26N4O/c1-6-15(7-2)19-9-8-14(18-19)10-20-12(4)16(13(5)21)11(3)17-20/h8-9,13,15,21H,6-7,10H2,1-5H3
InChIKeySZMFPWGUGYDRDU-UHFFFAOYSA-N
XLogP3.16
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.16
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-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol (CID 64778119) is 1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol is CCC(CC)n1ccc(Cn2nc(C)c(C(C)O)c2C)n1.
What is the InChIKey of 1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol?
The InChIKey is SZMFPWGUGYDRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-6-15(7-2)19-9-8-14(18-19)10-20-12(4)16(13(5)21)11(3)17-20/h8-9,13,15,21H,6-7,10H2,1-5H3.
What are the key properties of 1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol?
1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol has a molecular weight of 290.41 g/mol, XLogP of 3.16, 6 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-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 64778119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).