(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol

C12H17BrN4O — CID 114638030

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1cn(C)nc1C
InChIInChI=1S/C12H17BrN4O/c1-4-5-17-11(10(13)6-14-17)12(18)9-7-16(3)15-8(9)2/h6-7,12,18H,4-5H2,1-3H3
InChIKeyMHIJTJKJVRTMSI-UHFFFAOYSA-N
MW313.20 g/mol
LogP2.18
Rot. Bonds4

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

(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 114638030) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
PubChem CID114638030
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1cn(C)nc1C
InChIInChI=1S/C12H17BrN4O/c1-4-5-17-11(10(13)6-14-17)12(18)9-7-16(3)15-8(9)2/h6-7,12,18H,4-5H2,1-3H3
InChIKeyMHIJTJKJVRTMSI-UHFFFAOYSA-N
XLogP2.18
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638019
(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636783
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638085
(4-bromo-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636681
(1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol
CID 83091487
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
CID 114634680
(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
CID 114634115
(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol
CID 115835105
(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835104
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol (CID 114638030) is (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol is CCCn1ncc(Br)c1C(O)c1cn(C)nc1C.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is MHIJTJKJVRTMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-4-5-17-11(10(13)6-14-17)12(18)9-7-16(3)15-8(9)2/h6-7,12,18H,4-5H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 313.20 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 114638030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).