(4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine

C17H30BrN3 — CID 105041317

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine
SMILESCCCCC1CCC(C(N)c2c(Br)cnn2CCC)CC1
InChIInChI=1S/C17H30BrN3/c1-3-5-6-13-7-9-14(10-8-13)16(19)17-15(18)12-20-21(17)11-4-2/h12-14,16H,3-11,19H2,1-2H3
InChIKeySGECEFQMZKZVAT-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.05
Rot. Bonds7

About (4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine

(4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine (PubChem CID 105041317) has the molecular formula C17H30BrN3 and a molecular weight of 356.35 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine
PubChem CID105041317
Molecular FormulaC17H30BrN3
Molecular Weight356.35 g/mol
Exact Mass355.16
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine
SMILESCCCCC1CCC(C(N)c2c(Br)cnn2CCC)CC1
InChIInChI=1S/C17H30BrN3/c1-3-5-6-13-7-9-14(10-8-13)16(19)17-15(18)12-20-21(17)11-4-2/h12-14,16H,3-11,19H2,1-2H3
InChIKeySGECEFQMZKZVAT-UHFFFAOYSA-N
XLogP5.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine 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-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine
CID 105038676
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylcyclohexyl)methanamine
CID 114655524
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol
CID 115835410
[1-(4-bromo-1-propylpyrazol-5-yl)-3-cyclohexylpropyl]hydrazine
CID 105336636
[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine
CID 105336726
(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine
CID 105010652
(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
CID 114644031
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
CID 114664574
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine
CID 115854740

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine (CID 105041317) is (4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine is CCCCC1CCC(C(N)c2c(Br)cnn2CCC)CC1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine?
The InChIKey is SGECEFQMZKZVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN3/c1-3-5-6-13-7-9-14(10-8-13)16(19)17-15(18)12-20-21(17)11-4-2/h12-14,16H,3-11,19H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine?
(4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine has a molecular weight of 356.35 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine is sourced from PubChem (CID 105041317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).