1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine

C15H28BrN5 — CID 115415404

IUPAC1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1c(Br)c(C)nn1C)CC1CN(C)CCN1C
InChIInChI=1S/C15H28BrN5/c1-11-15(16)14(21(5)18-11)9-12(17-2)8-13-10-19(3)6-7-20(13)4/h12-13,17H,6-10H2,1-5H3
InChIKeyPTNQAHKDUVHITN-UHFFFAOYSA-N
MW358.33 g/mol
LogP1.26
Rot. Bonds5

About 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine (PubChem CID 115415404) has the molecular formula C15H28BrN5 and a molecular weight of 358.33 g/mol. Its IUPAC name is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine
PubChem CID115415404
Molecular FormulaC15H28BrN5
Molecular Weight358.33 g/mol
Exact Mass357.15
IUPAC Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1c(Br)c(C)nn1C)CC1CN(C)CCN1C
InChIInChI=1S/C15H28BrN5/c1-11-15(16)14(21(5)18-11)9-12(17-2)8-13-10-19(3)6-7-20(13)4/h12-13,17H,6-10H2,1-5H3
InChIKeyPTNQAHKDUVHITN-UHFFFAOYSA-N
XLogP1.26
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine with MolForge

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Related Compounds

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168966
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79659153
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
CID 115415231
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093448
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 115415288
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414955
1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 115415255
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105317779
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206328
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105160993
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine
CID 115415336
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpent-4-en-2-amine
CID 115415234

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine (CID 115415404) is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine is CNC(Cc1c(Br)c(C)nn1C)CC1CN(C)CCN1C.
What is the InChIKey of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine?
The InChIKey is PTNQAHKDUVHITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrN5/c1-11-15(16)14(21(5)18-11)9-12(17-2)8-13-10-19(3)6-7-20(13)4/h12-13,17H,6-10H2,1-5H3.
What are the key properties of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine?
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine has a molecular weight of 358.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 115415404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).