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

C13H15BrN2O — CID 66438779

IUPAC[1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1-c1ccccc1Br
InChIInChI=1S/C13H15BrN2O/c1-2-5-12-10(9-17)8-15-16(12)13-7-4-3-6-11(13)14/h3-4,6-8,17H,2,5,9H2,1H3
InChIKeyRQMFQRWRVWQJQF-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.08
Rot. Bonds4

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

[1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol (PubChem CID 66438779) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is [1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol
PubChem CID66438779
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name[1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol
SMILESCCCc1c(CO)cnn1-c1ccccc1Br
InChIInChI=1S/C13H15BrN2O/c1-2-5-12-10(9-17)8-15-16(12)13-7-4-3-6-11(13)14/h3-4,6-8,17H,2,5,9H2,1H3
InChIKeyRQMFQRWRVWQJQF-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol?
The IUPAC name of [1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol (CID 66438779) is [1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol is CCCc1c(CO)cnn1-c1ccccc1Br.
What is the InChIKey of [1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol?
The InChIKey is RQMFQRWRVWQJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-5-12-10(9-17)8-15-16(12)13-7-4-3-6-11(13)14/h3-4,6-8,17H,2,5,9H2,1H3.
What are the key properties of [1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol?
[1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol has a molecular weight of 295.18 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)-5-propylpyrazol-4-yl]methanol is sourced from PubChem (CID 66438779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).