1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine

C17H25ClN4 — CID 154741292

IUPAC1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CNCC(C)N(C)C
InChIInChI=1S/C17H25ClN4/c1-12(21(4)5)10-19-11-17-13(2)20-22(14(17)3)16-8-6-15(18)7-9-16/h6-9,12,19H,10-11H2,1-5H3
InChIKeyNTICRIZLZGCLRH-UHFFFAOYSA-N
MW320.87 g/mol
LogP3.18
Rot. Bonds6

About 1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 154741292) has the molecular formula C17H25ClN4 and a molecular weight of 320.87 g/mol. Its IUPAC name is 1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID154741292
Molecular FormulaC17H25ClN4
Molecular Weight320.87 g/mol
Exact Mass320.18
IUPAC Name1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CNCC(C)N(C)C
InChIInChI=1S/C17H25ClN4/c1-12(21(4)5)10-19-11-17-13(2)20-22(14(17)3)16-8-6-15(18)7-9-16/h6-9,12,19H,10-11H2,1-5H3
InChIKeyNTICRIZLZGCLRH-UHFFFAOYSA-N
XLogP3.18
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.87
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64571084
(1S)-N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 9453083
2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 115592625
N-[[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 84760401
N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63173161
N-[4-[2-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]phenyl]acetamide
CID 119114954
N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
CID 94193639
3-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-methylamino]-2-methylpropanoic acid
CID 119227970
N-[[1-(3-chloro-4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 84760406
1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol
CID 111119123

Frequently Asked Questions

What is the IUPAC name of 1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 154741292) is 1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine is Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCC(C)N(C)C.
What is the InChIKey of 1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is NTICRIZLZGCLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4/c1-12(21(4)5)10-19-11-17-13(2)20-22(14(17)3)16-8-6-15(18)7-9-16/h6-9,12,19H,10-11H2,1-5H3.
What are the key properties of 1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 320.87 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 154741292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).