[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol

C14H18N2O — CID 66436357

IUPAC[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1-c1ccccc1C
InChIInChI=1S/C14H18N2O/c1-3-6-14-12(10-17)9-15-16(14)13-8-5-4-7-11(13)2/h4-5,7-9,17H,3,6,10H2,1-2H3
InChIKeyIJQZLTMFYNYYFV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.63
Rot. Bonds4

About [1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol

[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol (PubChem CID 66436357) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol
PubChem CID66436357
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1-c1ccccc1C
InChIInChI=1S/C14H18N2O/c1-3-6-14-12(10-17)9-15-16(14)13-8-5-4-7-11(13)2/h4-5,7-9,17H,3,6,10H2,1-2H3
InChIKeyIJQZLTMFYNYYFV-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol?
The IUPAC name of [1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol (CID 66436357) is [1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol is CCCc1c(CO)cnn1-c1ccccc1C.
What is the InChIKey of [1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol?
The InChIKey is IJQZLTMFYNYYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-6-14-12(10-17)9-15-16(14)13-8-5-4-7-11(13)2/h4-5,7-9,17H,3,6,10H2,1-2H3.
What are the key properties of [1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol?
[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol has a molecular weight of 230.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol is sourced from PubChem (CID 66436357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).