1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine

C15H26BrN3 — CID 106830594

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
SMILESCCCn1ncc(Br)c1C(NC)C1(C)CCCCC1
InChIInChI=1S/C15H26BrN3/c1-4-10-19-13(12(16)11-18-19)14(17-3)15(2)8-6-5-7-9-15/h11,14,17H,4-10H2,1-3H3
InChIKeyGEJQWWOVEMPWFJ-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.29
Rot. Bonds5

About 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine

1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine (PubChem CID 106830594) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
PubChem CID106830594
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
SMILESCCCn1ncc(Br)c1C(NC)C1(C)CCCCC1
InChIInChI=1S/C15H26BrN3/c1-4-10-19-13(12(16)11-18-19)14(17-3)15(2)8-6-5-7-9-15/h11,14,17H,4-10H2,1-3H3
InChIKeyGEJQWWOVEMPWFJ-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-5-[methylamino-(1-methylcyclopentyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039148
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830600
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105040912
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
CID 114645921
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
CID 114662044
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methyl]propan-1-amine
CID 114658581
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559845
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048052
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 114660920
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114658243
1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651699

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine (CID 106830594) is 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine is CCCn1ncc(Br)c1C(NC)C1(C)CCCCC1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The InChIKey is GEJQWWOVEMPWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-4-10-19-13(12(16)11-18-19)14(17-3)15(2)8-6-5-7-9-15/h11,14,17H,4-10H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine has a molecular weight of 328.30 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine is sourced from PubChem (CID 106830594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).