[3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol

C19H28N2O — CID 67548104

IUPAC[3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol
SMILESCCCC(C)c1ccc(Cc2cc(CO)n(CCC)n2)cc1
InChIInChI=1S/C19H28N2O/c1-4-6-15(3)17-9-7-16(8-10-17)12-18-13-19(14-22)21(20-18)11-5-2/h7-10,13,15,22H,4-6,11-12,14H2,1-3H3
InChIKeyBUJHUHIVZQGRRP-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.28
Rot. Bonds8

About [3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol

[3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol (PubChem CID 67548104) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol
PubChem CID67548104
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol
SMILESCCCC(C)c1ccc(Cc2cc(CO)n(CCC)n2)cc1
InChIInChI=1S/C19H28N2O/c1-4-6-15(3)17-9-7-16(8-10-17)12-18-13-19(14-22)21(20-18)11-5-2/h7-10,13,15,22H,4-6,11-12,14H2,1-3H3
InChIKeyBUJHUHIVZQGRRP-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol?
The IUPAC name of [3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol (CID 67548104) is [3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol.
What is the SMILES notation for [3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol?
The canonical SMILES for [3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol is CCCC(C)c1ccc(Cc2cc(CO)n(CCC)n2)cc1.
What is the InChIKey of [3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol?
The InChIKey is BUJHUHIVZQGRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-4-6-15(3)17-9-7-16(8-10-17)12-18-13-19(14-22)21(20-18)11-5-2/h7-10,13,15,22H,4-6,11-12,14H2,1-3H3.
What are the key properties of [3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol?
[3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol has a molecular weight of 300.45 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-pentan-2-ylphenyl)methyl]-1-propylpyrazol-5-yl]methanol is sourced from PubChem (CID 67548104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).