(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol

C16H27BrN2O2 — CID 114645893

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
SMILESCCCn1ncc(Br)c1C(O)C1(OCC)CCCC(C)C1
InChIInChI=1S/C16H27BrN2O2/c1-4-9-19-14(13(17)11-18-19)15(20)16(21-5-2)8-6-7-12(3)10-16/h11-12,15,20H,4-10H2,1-3H3
InChIKeyIYPDGRZRAPXFMI-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.07
Rot. Bonds6

About (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol

(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol (PubChem CID 114645893) has the molecular formula C16H27BrN2O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
PubChem CID114645893
Molecular FormulaC16H27BrN2O2
Molecular Weight359.31 g/mol
Exact Mass358.13
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
SMILESCCCn1ncc(Br)c1C(O)C1(OCC)CCCC(C)C1
InChIInChI=1S/C16H27BrN2O2/c1-4-9-19-14(13(17)11-18-19)15(20)16(21-5-2)8-6-7-12(3)10-16/h11-12,15,20H,4-10H2,1-3H3
InChIKeyIYPDGRZRAPXFMI-UHFFFAOYSA-N
XLogP4.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)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-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114645869
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645888
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114645895
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645878
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
CID 114645921
(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755312
(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645814
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanol
CID 114645787
(4-bromo-1-methylpyrazol-5-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanol
CID 114645902
(4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine
CID 114661903
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 114645874
1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 114661992

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol (CID 114645893) is (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol is CCCn1ncc(Br)c1C(O)C1(OCC)CCCC(C)C1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol?
The InChIKey is IYPDGRZRAPXFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O2/c1-4-9-19-14(13(17)11-18-19)15(20)16(21-5-2)8-6-7-12(3)10-16/h11-12,15,20H,4-10H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol has a molecular weight of 359.31 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol is sourced from PubChem (CID 114645893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).