1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine

C14H26BrN3O — CID 114661012

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(c1c(Br)cnn1CCC)C(CC)OC
InChIInChI=1S/C14H26BrN3O/c1-5-8-16-13(12(7-3)19-4)14-11(15)10-17-18(14)9-6-2/h10,12-13,16H,5-9H2,1-4H3
InChIKeyFBIXGZSQEKQMEI-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.52
Rot. Bonds9

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine

1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine (PubChem CID 114661012) has the molecular formula C14H26BrN3O and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine
PubChem CID114661012
Molecular FormulaC14H26BrN3O
Molecular Weight332.29 g/mol
Exact Mass331.13
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(c1c(Br)cnn1CCC)C(CC)OC
InChIInChI=1S/C14H26BrN3O/c1-5-8-16-13(12(7-3)19-4)14-11(15)10-17-18(14)9-6-2/h10,12-13,16H,5-9H2,1-4H3
InChIKeyFBIXGZSQEKQMEI-UHFFFAOYSA-N
XLogP3.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187
N-[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethyl]propan-1-amine
CID 114657566
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethyl]propan-1-amine
CID 114661392
1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651699
N-[1-(4-bromo-1-ethylpyrazol-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517116
N-[1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-difluoroethyl]propan-1-amine
CID 103517124
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropyl-N-propylpropan-1-amine
CID 105043122
1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648750
N-[1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 114653524
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 105041198

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine (CID 114661012) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine is CCCNC(c1c(Br)cnn1CCC)C(CC)OC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine?
The InChIKey is FBIXGZSQEKQMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN3O/c1-5-8-16-13(12(7-3)19-4)14-11(15)10-17-18(14)9-6-2/h10,12-13,16H,5-9H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine?
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 114661012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).