1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine

C13H20BrN5 — CID 105183464

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCCn1ncc(Br)c1C(NC)c1cnn(C)c1C
InChIInChI=1S/C13H20BrN5/c1-5-6-19-13(11(14)8-17-19)12(15-3)10-7-16-18(4)9(10)2/h7-8,12,15H,5-6H2,1-4H3
InChIKeyAOLMNBMCJYPWIF-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.41
Rot. Bonds5

About 1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine

1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 105183464) has the molecular formula C13H20BrN5 and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID105183464
Molecular FormulaC13H20BrN5
Molecular Weight326.24 g/mol
Exact Mass325.09
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCCn1ncc(Br)c1C(NC)c1cnn(C)c1C
InChIInChI=1S/C13H20BrN5/c1-5-6-19-13(11(14)8-17-19)12(15-3)10-7-16-18(4)9(10)2/h7-8,12,15H,5-6H2,1-4H3
InChIKeyAOLMNBMCJYPWIF-UHFFFAOYSA-N
XLogP2.41
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105336644
(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636783
1-(5-bromo-2-methylphenyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041545
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107977501
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105041368
1-(1,5-dimethylpyrazol-4-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105186620
1-(1-benzothiophen-3-yl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041383
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106849013
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 114219349
1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 105041323
1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651699
N-[(4-bromo-1-propylpyrazol-5-yl)-(2-methylphenyl)methyl]ethanamine
CID 114647689

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine (CID 105183464) is 1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine is CCCn1ncc(Br)c1C(NC)c1cnn(C)c1C.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is AOLMNBMCJYPWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5/c1-5-6-19-13(11(14)8-17-19)12(15-3)10-7-16-18(4)9(10)2/h7-8,12,15H,5-6H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 326.24 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 105183464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).