1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine

C14H28N4 — CID 79053218

IUPAC1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
SMILESCCCNC(c1ccnn1CC)C(C)(C)N(C)C
InChIInChI=1S/C14H28N4/c1-7-10-15-13(14(3,4)17(5)6)12-9-11-16-18(12)8-2/h9,11,13,15H,7-8,10H2,1-6H3
InChIKeyGOFSZHIUYZGYRI-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.28
Rot. Bonds7

About 1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine

1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine (PubChem CID 79053218) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
PubChem CID79053218
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
SMILESCCCNC(c1ccnn1CC)C(C)(C)N(C)C
InChIInChI=1S/C14H28N4/c1-7-10-15-13(14(3,4)17(5)6)12-9-11-16-18(12)8-2/h9,11,13,15H,7-8,10H2,1-6H3
InChIKeyGOFSZHIUYZGYRI-UHFFFAOYSA-N
XLogP2.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N-diethyl-2-methyl-1-N-propyl-1-(2-propylpyrazol-3-yl)propane-1,2-diamine
CID 79050831
2-ethyl-1-(2-ethylpyrazol-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061729
2,2-dimethyl-N-propyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63974473
1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064340
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
CID 115858037
N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
[1-(2-ethylpyrazol-3-yl)-2,2-dimethylpropyl]hydrazine
CID 105203081
N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 63976367
N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 115858269
1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine
CID 79061756
N-[(2-ethylpyrazol-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923434
N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857934

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine (CID 79053218) is 1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine is CCCNC(c1ccnn1CC)C(C)(C)N(C)C.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
The InChIKey is GOFSZHIUYZGYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-10-15-13(14(3,4)17(5)6)12-9-11-16-18(12)8-2/h9,11,13,15H,7-8,10H2,1-6H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine?
1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 79053218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).