(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol

C13H19BrN4O — CID 114638733

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C13H19BrN4O/c1-4-7-17-11(5-6-15-17)13(19)12-10(14)8-16-18(12)9(2)3/h5-6,8-9,13,19H,4,7H2,1-3H3
InChIKeyAKCHSPUMCPHHJZ-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.91
Rot. Bonds5

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 114638733) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol
PubChem CID114638733
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C13H19BrN4O/c1-4-7-17-11(5-6-15-17)13(19)12-10(14)8-16-18(12)9(2)3/h5-6,8-9,13,19H,4,7H2,1-3H3
InChIKeyAKCHSPUMCPHHJZ-UHFFFAOYSA-N
XLogP2.91
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-propylpyrazol-4-yl)methanol
CID 103572729
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-ethylpyrazol-3-yl)methanol
CID 114638722
(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
CID 114556923
(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 106859237
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840
(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 66156283
(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 114885789
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol
CID 106756354
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
CID 114635708
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
CID 103454535
furan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63974629

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol (CID 114638733) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is AKCHSPUMCPHHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-4-7-17-11(5-6-15-17)13(19)12-10(14)8-16-18(12)9(2)3/h5-6,8-9,13,19H,4,7H2,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 327.23 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 114638733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).