(3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol

C13H14Br2N2O — CID 114023332

IUPAC(3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cc(Br)cc(Br)c2)cn1
InChIInChI=1S/C13H14Br2N2O/c1-2-3-17-8-10(7-16-17)13(18)9-4-11(14)6-12(15)5-9/h4-8,13,18H,2-3H2,1H3
InChIKeyRLKLRRJZRKSYSF-UHFFFAOYSA-N
MW374.08 g/mol
LogP3.90
Rot. Bonds4

About (3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol

(3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol (PubChem CID 114023332) has the molecular formula C13H14Br2N2O and a molecular weight of 374.08 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol
PubChem CID114023332
Molecular FormulaC13H14Br2N2O
Molecular Weight374.08 g/mol
Exact Mass371.95
IUPAC Name(3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cc(Br)cc(Br)c2)cn1
InChIInChI=1S/C13H14Br2N2O/c1-2-3-17-8-10(7-16-17)13(18)9-4-11(14)6-12(15)5-9/h4-8,13,18H,2-3H2,1H3
InChIKeyRLKLRRJZRKSYSF-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dibromophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107973896
(3-bromo-4-chlorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 115566276
(4-bromo-3-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 81436029
(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114981635
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
CID 103572729
[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288475
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methanol
CID 66118416
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
(1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol
CID 83091487
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63894378
(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 114981600

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of (3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol (CID 114023332) is (3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for (3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)c2cc(Br)cc(Br)c2)cn1.
What is the InChIKey of (3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol?
The InChIKey is RLKLRRJZRKSYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O/c1-2-3-17-8-10(7-16-17)13(18)9-4-11(14)6-12(15)5-9/h4-8,13,18H,2-3H2,1H3.
What are the key properties of (3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol?
(3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol has a molecular weight of 374.08 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 114023332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).