N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

C17H26N4 — CID 103571837

IUPACN-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)N(C)c2ccc(C)cc2C)cn1
InChIInChI=1S/C17H26N4/c1-5-8-21-12-15(11-19-21)17(10-18)20(4)16-7-6-13(2)9-14(16)3/h6-7,9,11-12,17H,5,8,10,18H2,1-4H3
InChIKeyKBTDITRTYXNNTE-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.05
Rot. Bonds6

About N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 103571837) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID103571837
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)N(C)c2ccc(C)cc2C)cn1
InChIInChI=1S/C17H26N4/c1-5-8-21-12-15(11-19-21)17(10-18)20(4)16-7-6-13(2)9-14(16)3/h6-7,9,11-12,17H,5,8,10,18H2,1-4H3
InChIKeyKBTDITRTYXNNTE-UHFFFAOYSA-N
XLogP3.05
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
CID 62003894
N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
CID 114937122
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 103569563
N-methyl-N-(4-methylpentan-2-yl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571806
[(2,5-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288509
1-(3-bromothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 115380402
N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571826
N-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571960
[(4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105194305
N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571807
2-(2,5-dimethylphenyl)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807276
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569436

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (CID 103571837) is N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is CCCn1cc(C(CN)N(C)c2ccc(C)cc2C)cn1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is KBTDITRTYXNNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-5-8-21-12-15(11-19-21)17(10-18)20(4)16-7-6-13(2)9-14(16)3/h6-7,9,11-12,17H,5,8,10,18H2,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 286.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 103571837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).