1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine

C15H29BrN4 — CID 79064714

IUPAC1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)C(C)(CC)N(C)C
InChIInChI=1S/C15H29BrN4/c1-8-15(4,19(5)6)13(17-9-2)10-12-14(16)11(3)18-20(12)7/h13,17H,8-10H2,1-7H3
InChIKeyBKFGVXXFGWDZMS-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.74
Rot. Bonds7

About 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine (PubChem CID 79064714) has the molecular formula C15H29BrN4 and a molecular weight of 345.33 g/mol. Its IUPAC name is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
PubChem CID79064714
Molecular FormulaC15H29BrN4
Molecular Weight345.33 g/mol
Exact Mass344.16
IUPAC Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)C(C)(CC)N(C)C
InChIInChI=1S/C15H29BrN4/c1-8-15(4,19(5)6)13(17-9-2)10-12-14(16)11(3)18-20(12)7/h13,17H,8-10H2,1-7H3
InChIKeyBKFGVXXFGWDZMS-UHFFFAOYSA-N
XLogP2.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
CID 79058069
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 105000204
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160957
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245331
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105000580
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyloctan-2-amine
CID 105000232
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 105000305
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol
CID 79088051
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546899
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine
CID 79064110
1-(3-bromo-4-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063157
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 79053897

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine?
The IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine (CID 79064714) is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine.
What is the SMILES notation for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine?
The canonical SMILES for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine is CCNC(Cc1c(Br)c(C)nn1C)C(C)(CC)N(C)C.
What is the InChIKey of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine?
The InChIKey is BKFGVXXFGWDZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrN4/c1-8-15(4,19(5)6)13(17-9-2)10-12-14(16)11(3)18-20(12)7/h13,17H,8-10H2,1-7H3.
What are the key properties of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine?
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine has a molecular weight of 345.33 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine is sourced from PubChem (CID 79064714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).