(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol

C15H25BrN2O2 — CID 114645921

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
SMILESCCCn1ncc(Br)c1C(O)C1(OC)CCCCCC1
InChIInChI=1S/C15H25BrN2O2/c1-3-10-18-13(12(16)11-17-18)14(19)15(20-2)8-6-4-5-7-9-15/h11,14,19H,3-10H2,1-2H3
InChIKeyDPDXGISRYAHPTK-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.83
Rot. Bonds5

About (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol

(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol (PubChem CID 114645921) has the molecular formula C15H25BrN2O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
PubChem CID114645921
Molecular FormulaC15H25BrN2O2
Molecular Weight345.28 g/mol
Exact Mass344.11
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
SMILESCCCn1ncc(Br)c1C(O)C1(OC)CCCCCC1
InChIInChI=1S/C15H25BrN2O2/c1-3-10-18-13(12(16)11-17-18)14(19)15(20-2)8-6-4-5-7-9-15/h11,14,19H,3-10H2,1-2H3
InChIKeyDPDXGISRYAHPTK-UHFFFAOYSA-N
XLogP3.83
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methoxycycloheptyl)methanol
CID 114645923
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methoxycyclohexyl)methanol
CID 114645797
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(1-methoxycyclopentyl)methanol
CID 114645500
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
CID 114662044
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645893
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114645869
(1-ethoxycyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645814
1-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-hydroxymethyl]cyclohexan-1-ol
CID 103451810
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanol
CID 116753279
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 114661811
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645878

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol (CID 114645921) is (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol is CCCn1ncc(Br)c1C(O)C1(OC)CCCCCC1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol?
The InChIKey is DPDXGISRYAHPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2/c1-3-10-18-13(12(16)11-17-18)14(19)15(20-2)8-6-4-5-7-9-15/h11,14,19H,3-10H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol has a molecular weight of 345.28 g/mol, XLogP of 3.83, 5 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-methoxycycloheptyl)methanol is sourced from PubChem (CID 114645921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).