1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine

C15H26BrN3 — CID 114649211

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCNC(c1c(Br)cnn1C(C)C)C1CCC(C)CC1
InChIInChI=1S/C15H26BrN3/c1-10(2)19-15(13(16)9-18-19)14(17-4)12-7-5-11(3)6-8-12/h9-12,14,17H,5-8H2,1-4H3
InChIKeyVWJCRWLURWHJOC-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.31
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine (PubChem CID 114649211) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
PubChem CID114649211
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCNC(c1c(Br)cnn1C(C)C)C1CCC(C)CC1
InChIInChI=1S/C15H26BrN3/c1-10(2)19-15(13(16)9-18-19)14(17-4)12-7-5-11(3)6-8-12/h9-12,14,17H,5-8H2,1-4H3
InChIKeyVWJCRWLURWHJOC-UHFFFAOYSA-N
XLogP4.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 114649226
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660210
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 114655618
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 114655530
N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-2-yl]cyclopropanamine
CID 114662979
[3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336967
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114655928
N-[6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 105042082
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105336963
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649244
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,2-difluoro-N-methylethanamine
CID 103517138

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine (CID 114649211) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine is CNC(c1c(Br)cnn1C(C)C)C1CCC(C)CC1.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The InChIKey is VWJCRWLURWHJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-10(2)19-15(13(16)9-18-19)14(17-4)12-7-5-11(3)6-8-12/h9-12,14,17H,5-8H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine has a molecular weight of 328.30 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 114649211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).