N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine

C15H21BrN4 — CID 66440011

IUPACN-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnn(-c2ccc(Br)cn2)c1C(C)C
InChIInChI=1S/C15H21BrN4/c1-10(2)15-12(7-17-11(3)4)8-19-20(15)14-6-5-13(16)9-18-14/h5-6,8-11,17H,7H2,1-4H3
InChIKeyXMZOTRVKTFOBAG-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.65
Rot. Bonds5

About N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine

N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 66440011) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID66440011
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC NameN-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnn(-c2ccc(Br)cn2)c1C(C)C
InChIInChI=1S/C15H21BrN4/c1-10(2)15-12(7-17-11(3)4)8-19-20(15)14-6-5-13(16)9-18-14/h5-6,8-11,17H,7H2,1-4H3
InChIKeyXMZOTRVKTFOBAG-UHFFFAOYSA-N
XLogP3.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine (CID 66440011) is N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cnn(-c2ccc(Br)cn2)c1C(C)C.
What is the InChIKey of N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is XMZOTRVKTFOBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-10(2)15-12(7-17-11(3)4)8-19-20(15)14-6-5-13(16)9-18-14/h5-6,8-11,17H,7H2,1-4H3.
What are the key properties of N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 337.27 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-2-pyridinyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66440011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).