(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol

C13H14BrN5O — CID 103129218

IUPAC(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol
SMILESCCCn1ncc(Br)c1C(O)c1cnn2ccncc12
InChIInChI=1S/C13H14BrN5O/c1-2-4-19-12(10(14)7-17-19)13(20)9-6-16-18-5-3-15-8-11(9)18/h3,5-8,13,20H,2,4H2,1H3
InChIKeyWTULQNSBBJTPDP-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.18
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol

(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol (PubChem CID 103129218) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol
PubChem CID103129218
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol
SMILESCCCn1ncc(Br)c1C(O)c1cnn2ccncc12
InChIInChI=1S/C13H14BrN5O/c1-2-4-19-12(10(14)7-17-19)13(20)9-6-16-18-5-3-15-8-11(9)18/h3,5-8,13,20H,2,4H2,1H3
InChIKeyWTULQNSBBJTPDP-UHFFFAOYSA-N
XLogP2.18
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636783
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103128185
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638030
(4-bromo-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636681
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
CID 114634680
(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
CID 114634115
(2-methylpyrazol-3-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol
CID 103128838
1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103125780
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794
(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114885652

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol (CID 103129218) is (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol is CCCn1ncc(Br)c1C(O)c1cnn2ccncc12.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol?
The InChIKey is WTULQNSBBJTPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c1-2-4-19-12(10(14)7-17-19)13(20)9-6-16-18-5-3-15-8-11(9)18/h3,5-8,13,20H,2,4H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol?
(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol has a molecular weight of 336.19 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol is sourced from PubChem (CID 103129218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).