2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol

C14H17BrN2O — CID 82871625

IUPAC2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol
SMILESCn1ccc(CC(CO)Cc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN2O/c1-17-7-6-13(16-17)9-11(10-18)8-12-4-2-3-5-14(12)15/h2-7,11,18H,8-10H2,1H3
InChIKeyNTUUGMWDUGAVJH-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.58
Rot. Bonds5

About 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol

2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol (PubChem CID 82871625) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol
PubChem CID82871625
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol
SMILESCn1ccc(CC(CO)Cc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN2O/c1-17-7-6-13(16-17)9-11(10-18)8-12-4-2-3-5-14(12)15/h2-7,11,18H,8-10H2,1H3
InChIKeyNTUUGMWDUGAVJH-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol
CID 82871623
2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773195
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037857
3-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]-1-methylpyrazole
CID 82871632
[1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105208608
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol
CID 66040471
2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200168
1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785116
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
1-(2-bromophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876530
2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877755
2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol
CID 82872185

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol (CID 82871625) is 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol is Cn1ccc(CC(CO)Cc2ccccc2Br)n1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is NTUUGMWDUGAVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-17-7-6-13(16-17)9-11(10-18)8-12-4-2-3-5-14(12)15/h2-7,11,18H,8-10H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol?
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 309.21 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 82871625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).