1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine

C16H24N4 — CID 107330721

IUPAC1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine
SMILESCNC(c1ccnn1-c1ccccc1)C(C)(C)N(C)C
InChIInChI=1S/C16H24N4/c1-16(2,19(4)5)15(17-3)14-11-12-18-20(14)13-9-7-6-8-10-13/h6-12,15,17H,1-5H3
InChIKeyDBFJLWHRGKYPOU-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.47
Rot. Bonds5

About 1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine

1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine (PubChem CID 107330721) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine
PubChem CID107330721
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine
SMILESCNC(c1ccnn1-c1ccccc1)C(C)(C)N(C)C
InChIInChI=1S/C16H24N4/c1-16(2,19(4)5)15(17-3)14-11-12-18-20(14)13-9-7-6-8-10-13/h6-12,15,17H,1-5H3
InChIKeyDBFJLWHRGKYPOU-UHFFFAOYSA-N
XLogP2.47
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330353
1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine
CID 114688285
N-ethyl-2,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330534
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330555
1-N,2-N,2-N,2-tetramethyl-1-pyridin-3-ylpropane-1,2-diamine
CID 79053395
N-methyl-2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107331976
N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107331506
1-(1H-imidazol-2-yl)-N-methyl-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330786
N-methyl-1-(1-methylimidazol-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330821
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
2-ethyl-1-(2-ethylpyrazol-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061729

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine (CID 107330721) is 1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine is CNC(c1ccnn1-c1ccccc1)C(C)(C)N(C)C.
What is the InChIKey of 1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine?
The InChIKey is DBFJLWHRGKYPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-16(2,19(4)5)15(17-3)14-11-12-18-20(14)13-9-7-6-8-10-13/h6-12,15,17H,1-5H3.
What are the key properties of 1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine?
1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine is sourced from PubChem (CID 107330721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).