(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol

C13H21BrN2O — CID 115834787

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
SMILESCCn1ncc(Br)c1C(O)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H21BrN2O/c1-6-16-9(8(14)7-15-16)10(17)11-12(2,3)13(11,4)5/h7,10-11,17H,6H2,1-5H3
InChIKeyVYWAFEXZZZSARO-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.38
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol

(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol (PubChem CID 115834787) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
PubChem CID115834787
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
SMILESCCn1ncc(Br)c1C(O)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H21BrN2O/c1-6-16-9(8(14)7-15-16)10(17)11-12(2,3)13(11,4)5/h7,10-11,17H,6H2,1-5H3
InChIKeyVYWAFEXZZZSARO-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105336237
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105040348
(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 114644108
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
2-bicyclo[2.2.1]heptanyl-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114645446
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
CID 114645175
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol
CID 114637053
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol
CID 103089761
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
1-(4-bromo-1-ethylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105127584
(4-bromo-1-ethylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638019

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol (CID 115834787) is (4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol is CCn1ncc(Br)c1C(O)C1C(C)(C)C1(C)C.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The InChIKey is VYWAFEXZZZSARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-6-16-9(8(14)7-15-16)10(17)11-12(2,3)13(11,4)5/h7,10-11,17H,6H2,1-5H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol has a molecular weight of 301.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol is sourced from PubChem (CID 115834787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).