1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine

C16H23ClN4 — CID 62643334

IUPAC1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCNC(CCN(C)Cc1cnn(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN4/c1-18-16(14-4-6-15(17)7-5-14)8-9-20(2)11-13-10-19-21(3)12-13/h4-7,10,12,16,18H,8-9,11H2,1-3H3
InChIKeyWJJWNCINVZVJIK-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.86
Rot. Bonds7

About 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine

1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 62643334) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID62643334
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCNC(CCN(C)Cc1cnn(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN4/c1-18-16(14-4-6-15(17)7-5-14)8-9-20(2)11-13-10-19-21(3)12-13/h4-7,10,12,16,18H,8-9,11H2,1-3H3
InChIKeyWJJWNCINVZVJIK-UHFFFAOYSA-N
XLogP2.86
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N,N'-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55099254
4-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-yl]aniline
CID 104501541
2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 62643807
1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 79003234
1-(4-chlorophenyl)-N,N'-dimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 79859395
1-(2-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 62631197
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105347517
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
N-(3-chlorophenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62558742
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 62643334) is 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine is CNC(CCN(C)Cc1cnn(C)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is WJJWNCINVZVJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-18-16(14-4-6-15(17)7-5-14)8-9-20(2)11-13-10-19-21(3)12-13/h4-7,10,12,16,18H,8-9,11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine?
1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 306.84 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62643334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).