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

C15H22BrN5 — CID 114659833

IUPACN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncc(C)cn1)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H22BrN5/c1-5-6-17-13(15-18-7-11(4)8-19-15)14-12(16)9-20-21(14)10(2)3/h7-10,13,17H,5-6H2,1-4H3
InChIKeyZCYOPAQUFBIKPJ-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.41
Rot. Bonds6

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

N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine (PubChem CID 114659833) has the molecular formula C15H22BrN5 and a molecular weight of 352.28 g/mol. Its IUPAC name is N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine
PubChem CID114659833
Molecular FormulaC15H22BrN5
Molecular Weight352.28 g/mol
Exact Mass351.11
IUPAC NameN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncc(C)cn1)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H22BrN5/c1-5-6-17-13(15-18-7-11(4)8-19-15)14-12(16)9-20-21(14)10(2)3/h7-10,13,17H,5-6H2,1-4H3
InChIKeyZCYOPAQUFBIKPJ-UHFFFAOYSA-N
XLogP3.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
N-[3-(4-methylpyrazol-1-yl)butan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 53571938
5-ethyl-N~4~-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 72856128
5-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 72877267
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 103880468
2-ethyl-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 119052097
4-ethyl-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
CID 126450890
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-ethyl-5-methylpyrimidin-2-amine
CID 126452125
2-(4-bromopyrazol-1-yl)-N-[(2,4-dimethylpyrimidin-5-yl)methyl]ethanamine
CID 132390681
5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 136528533
2-methyl-6-propan-2-yl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrimidin-4-amine
CID 164629552
1-[(1S)-1-(5-bromopyrimidin-2-yl)ethyl]-3-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]urea
CID 164630339

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine (CID 114659833) is N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine is CCCNC(c1ncc(C)cn1)c1c(Br)cnn1C(C)C.
What is the InChIKey of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine?
The InChIKey is ZCYOPAQUFBIKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5/c1-5-6-17-13(15-18-7-11(4)8-19-15)14-12(16)9-20-21(14)10(2)3/h7-10,13,17H,5-6H2,1-4H3.
What are the key properties of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine?
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine has a molecular weight of 352.28 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114659833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).