N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride

C12H24BrClN4 — CID 120842917

IUPACN'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
SMILESCc1nn(C)c(CN(C)CC(C)(C)CN)c1Br.Cl
InChIInChI=1S/C12H23BrN4.ClH/c1-9-11(13)10(17(5)15-9)6-16(4)8-12(2,3)7-14;/h6-8,14H2,1-5H3;1H
InChIKeyMNPIBWJFCQFPKB-UHFFFAOYSA-N
MW339.71 g/mol
LogP2.33
Rot. Bonds5

About N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride

N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride (PubChem CID 120842917) has the molecular formula C12H24BrClN4 and a molecular weight of 339.71 g/mol. Its IUPAC name is N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
PubChem CID120842917
Molecular FormulaC12H24BrClN4
Molecular Weight339.71 g/mol
Exact Mass338.09
IUPAC NameN'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
SMILESCc1nn(C)c(CN(C)CC(C)(C)CN)c1Br.Cl
InChIInChI=1S/C12H23BrN4.ClH/c1-9-11(13)10(17(5)15-9)6-16(4)8-12(2,3)7-14;/h6-8,14H2,1-5H3;1H
InChIKeyMNPIBWJFCQFPKB-UHFFFAOYSA-N
XLogP2.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.71
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652154
N'-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79651963
N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 79645097
1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol
CID 66039829
2-(aminomethyl)-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 106506256
5-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpentan-1-amine
CID 107204793
N',2,2-trimethyl-N'-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine
CID 79647393
N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661433
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836581
7-amino-1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5-dimethylheptan-2-one
CID 116574883
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064714
N'-[(5-bromothiophen-3-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928808

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride (CID 120842917) is N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride is Cc1nn(C)c(CN(C)CC(C)(C)CN)c1Br.Cl.
What is the InChIKey of N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is MNPIBWJFCQFPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN4.ClH/c1-9-11(13)10(17(5)15-9)6-16(4)8-12(2,3)7-14;/h6-8,14H2,1-5H3;1H.
What are the key properties of N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 339.71 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 120842917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).