N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine

C17H26N4 — CID 114554849

IUPACN',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCCn1nccc1CNC(CN(C)C)c1ccccc1
InChIInChI=1S/C17H26N4/c1-4-12-21-16(10-11-19-21)13-18-17(14-20(2)3)15-8-6-5-7-9-15/h5-11,17-18H,4,12-14H2,1-3H3
InChIKeyMVUCGFXQHZQOMK-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.69
Rot. Bonds8

About N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine

N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 114554849) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID114554849
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCCn1nccc1CNC(CN(C)C)c1ccccc1
InChIInChI=1S/C17H26N4/c1-4-12-21-16(10-11-19-21)13-18-17(14-20(2)3)15-8-6-5-7-9-15/h5-11,17-18H,4,12-14H2,1-3H3
InChIKeyMVUCGFXQHZQOMK-UHFFFAOYSA-N
XLogP2.69
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
(2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 107862442
1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114554830
3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol
CID 114555438
N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine
CID 114556013
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555445
2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine
CID 81027473

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine (CID 114554849) is N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine is CCCn1nccc1CNC(CN(C)C)c1ccccc1.
What is the InChIKey of N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is MVUCGFXQHZQOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-12-21-16(10-11-19-21)13-18-17(14-20(2)3)15-8-6-5-7-9-15/h5-11,17-18H,4,12-14H2,1-3H3.
What are the key properties of N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine?
N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 286.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 114554849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).