1-(1-methylpyrazol-4-yl)tetradecan-3-ol

C18H34N2O — CID 103027779

IUPAC1-(1-methylpyrazol-4-yl)tetradecan-3-ol
SMILESCCCCCCCCCCCC(O)CCc1cnn(C)c1
InChIInChI=1S/C18H34N2O/c1-3-4-5-6-7-8-9-10-11-12-18(21)14-13-17-15-19-20(2)16-17/h15-16,18,21H,3-14H2,1-2H3
InChIKeyIEMZISSAKKQHDQ-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.63
Rot. Bonds13

About 1-(1-methylpyrazol-4-yl)tetradecan-3-ol

1-(1-methylpyrazol-4-yl)tetradecan-3-ol (PubChem CID 103027779) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)tetradecan-3-ol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)tetradecan-3-ol
PubChem CID103027779
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-(1-methylpyrazol-4-yl)tetradecan-3-ol
SMILESCCCCCCCCCCCC(O)CCc1cnn(C)c1
InChIInChI=1S/C18H34N2O/c1-3-4-5-6-7-8-9-10-11-12-18(21)14-13-17-15-19-20(2)16-17/h15-16,18,21H,3-14H2,1-2H3
InChIKeyIEMZISSAKKQHDQ-UHFFFAOYSA-N
XLogP4.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
CID 103008236
1-(1-methylpyrazol-4-yl)undecan-3-ylhydrazine
CID 103025813
1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
CID 103029553
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol
CID 103027778
4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
CID 103008145
1-hexoxy-3-[2-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 80688585
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-octan-2-ylguanidine
CID 111212981
1-methyl-4-propylpyrazole;propane
CID 155742221
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
1-(1-methylpyrazol-4-yl)tridecan-2-ylhydrazine
CID 105291057
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)tetradecan-3-ol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)tetradecan-3-ol (CID 103027779) is 1-(1-methylpyrazol-4-yl)tetradecan-3-ol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)tetradecan-3-ol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)tetradecan-3-ol is CCCCCCCCCCCC(O)CCc1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)tetradecan-3-ol?
The InChIKey is IEMZISSAKKQHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-4-5-6-7-8-9-10-11-12-18(21)14-13-17-15-19-20(2)16-17/h15-16,18,21H,3-14H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)tetradecan-3-ol?
1-(1-methylpyrazol-4-yl)tetradecan-3-ol has a molecular weight of 294.48 g/mol, XLogP of 4.63, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)tetradecan-3-ol is sourced from PubChem (CID 103027779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).