1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine

C13H15Cl2N3 — CID 134158291

IUPAC1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine
SMILESCc1cnn(C)c1CNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-9-6-17-18(2)13(9)8-16-7-10-3-11(14)5-12(15)4-10/h3-6,16H,7-8H2,1-2H3
InChIKeyCMTSTUWYTJHAEA-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.33
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine

1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine (PubChem CID 134158291) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine
PubChem CID134158291
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine
SMILESCc1cnn(C)c1CNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-9-6-17-18(2)13(9)8-16-7-10-3-11(14)5-12(15)4-10/h3-6,16H,7-8H2,1-2H3
InChIKeyCMTSTUWYTJHAEA-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine (CID 134158291) is 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine is Cc1cnn(C)c1CNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine?
The InChIKey is CMTSTUWYTJHAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-9-6-17-18(2)13(9)8-16-7-10-3-11(14)5-12(15)4-10/h3-6,16H,7-8H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine?
1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine has a molecular weight of 284.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 134158291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).