1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

C14H18ClN3 — CID 55022520

IUPAC1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(C(c2ccccc2Cl)C(C)N)n1
InChIInChI=1S/C14H18ClN3/c1-9-8-10(2)18(17-9)14(11(3)16)12-6-4-5-7-13(12)15/h4-8,11,14H,16H2,1-3H3
InChIKeyXNXUFQQSRKVDIC-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.09
Rot. Bonds3

About 1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (PubChem CID 55022520) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
PubChem CID55022520
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(C(c2ccccc2Cl)C(C)N)n1
InChIInChI=1S/C14H18ClN3/c1-9-8-10(2)18(17-9)14(11(3)16)12-6-4-5-7-13(12)15/h4-8,11,14H,16H2,1-3H3
InChIKeyXNXUFQQSRKVDIC-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (CID 55022520) is 1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is Cc1cc(C)n(C(c2ccccc2Cl)C(C)N)n1.
What is the InChIKey of 1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The InChIKey is XNXUFQQSRKVDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9-8-10(2)18(17-9)14(11(3)16)12-6-4-5-7-13(12)15/h4-8,11,14H,16H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 55022520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).