1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine

C12H24N4 — CID 115291096

IUPAC1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CC(N)c1cnn(C)c1
InChIInChI=1S/C12H24N4/c1-4-6-16(7-5-2)10-12(13)11-8-14-15(3)9-11/h8-9,12H,4-7,10,13H2,1-3H3
InChIKeyDOZDTLQSNVYQSC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.54
Rot. Bonds7

About 1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine

1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine (PubChem CID 115291096) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
PubChem CID115291096
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CC(N)c1cnn(C)c1
InChIInChI=1S/C12H24N4/c1-4-6-16(7-5-2)10-12(13)11-8-14-15(3)9-11/h8-9,12H,4-7,10,13H2,1-3H3
InChIKeyDOZDTLQSNVYQSC-UHFFFAOYSA-N
XLogP1.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994511
N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280024
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112660793
N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291231
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291322
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280046
N'-ethyl-N'-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291264
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291313

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine (CID 115291096) is 1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CC(N)c1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine?
The InChIKey is DOZDTLQSNVYQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-6-16(7-5-2)10-12(13)11-8-14-15(3)9-11/h8-9,12H,4-7,10,13H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine?
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 115291096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).