1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine

C15H21BrN4 — CID 105189818

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
SMILESCCCNC(CCc1ccncc1)c1c(Br)cnn1C
InChIInChI=1S/C15H21BrN4/c1-3-8-18-14(15-13(16)11-19-20(15)2)5-4-12-6-9-17-10-7-12/h6-7,9-11,14,18H,3-5,8H2,1-2H3
InChIKeyIBSVVWYKSYVCMV-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.25
Rot. Bonds7

About 1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 105189818) has the molecular formula C15H21BrN4 and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
PubChem CID105189818
Molecular FormulaC15H21BrN4
Molecular Weight337.26 g/mol
Exact Mass336.09
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
SMILESCCCNC(CCc1ccncc1)c1c(Br)cnn1C
InChIInChI=1S/C15H21BrN4/c1-3-8-18-14(15-13(16)11-19-20(15)2)5-4-12-6-9-17-10-7-12/h6-7,9-11,14,18H,3-5,8H2,1-2H3
InChIKeyIBSVVWYKSYVCMV-UHFFFAOYSA-N
XLogP3.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114647443
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine
CID 114655999
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
CID 114657465
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenoxyethyl]propan-1-amine
CID 114649647
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 114659633
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 114660904
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine
CID 105054370
1-(furan-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105146972
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114659492
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105053947

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine (CID 105189818) is 1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine is CCCNC(CCc1ccncc1)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is IBSVVWYKSYVCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-3-8-18-14(15-13(16)11-19-20(15)2)5-4-12-6-9-17-10-7-12/h6-7,9-11,14,18H,3-5,8H2,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 337.26 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105189818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).