(3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol

C13H17BrN4O — CID 164719223

IUPAC(3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cnn(CC3(C)CC3)c2)c(Br)n1
InChIInChI=1S/C13H17BrN4O/c1-13(3-4-13)8-18-6-9(5-15-18)11(19)10-7-17(2)16-12(10)14/h5-7,11,19H,3-4,8H2,1-2H3
InChIKeyLLLKQXFUAAJBDD-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.26
Rot. Bonds4

About (3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol

(3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol (PubChem CID 164719223) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol
PubChem CID164719223
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cnn(CC3(C)CC3)c2)c(Br)n1
InChIInChI=1S/C13H17BrN4O/c1-13(3-4-13)8-18-6-9(5-15-18)11(19)10-7-17(2)16-12(10)14/h5-7,11,19H,3-4,8H2,1-2H3
InChIKeyLLLKQXFUAAJBDD-UHFFFAOYSA-N
XLogP2.26
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol (CID 164719223) is (3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol is Cn1cc(C(O)c2cnn(CC3(C)CC3)c2)c(Br)n1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is LLLKQXFUAAJBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-13(3-4-13)8-18-6-9(5-15-18)11(19)10-7-17(2)16-12(10)14/h5-7,11,19H,3-4,8H2,1-2H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol?
(3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 325.21 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)-[1-[(1-methylcyclopropyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 164719223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).