3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol

C10H15BrN2O — CID 114665001

IUPAC3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol
SMILESCn1ncc(Br)c1CCC(O)C1CC1
InChIInChI=1S/C10H15BrN2O/c1-13-9(8(11)6-12-13)4-5-10(14)7-2-3-7/h6-7,10,14H,2-5H2,1H3
InChIKeyDHSIDWQXYXLUBS-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.89
Rot. Bonds4

About 3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol

3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol (PubChem CID 114665001) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol
PubChem CID114665001
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol
SMILESCn1ncc(Br)c1CCC(O)C1CC1
InChIInChI=1S/C10H15BrN2O/c1-13-9(8(11)6-12-13)4-5-10(14)7-2-3-7/h6-7,10,14H,2-5H2,1H3
InChIKeyDHSIDWQXYXLUBS-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol
CID 114664997
4-bromo-5-(3-bromopropyl)-1-methylpyrazole
CID 114665343
4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
CID 175049382
1-(4-bromo-1-methylpyrazol-5-yl)pentan-3-one
CID 114663538
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanecarboxamide
CID 19294775
1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008398
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methylazetidin-3-amine
CID 130834100
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107052346
3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664458
4-bromo-1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole
CID 130616658
2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
CID 114662235

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol?
The IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol (CID 114665001) is 3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol.
What is the SMILES notation for 3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol?
The canonical SMILES for 3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol is Cn1ncc(Br)c1CCC(O)C1CC1.
What is the InChIKey of 3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol?
The InChIKey is DHSIDWQXYXLUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-13-9(8(11)6-12-13)4-5-10(14)7-2-3-7/h6-7,10,14H,2-5H2,1H3.
What are the key properties of 3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol?
3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol has a molecular weight of 259.15 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-methylpyrazol-5-yl)-1-cyclopropylpropan-1-ol is sourced from PubChem (CID 114665001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).