1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine

C17H24ClN3 — CID 82700096

IUPAC1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
SMILESCCc1nn(Cc2ccc(Cl)cc2)c(CC)c1CC(C)N
InChIInChI=1S/C17H24ClN3/c1-4-16-15(10-12(3)19)17(5-2)21(20-16)11-13-6-8-14(18)9-7-13/h6-9,12H,4-5,10-11,19H2,1-3H3
InChIKeyFJMDFPILVVNSPT-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.60
Rot. Bonds6

About 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine

1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine (PubChem CID 82700096) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
PubChem CID82700096
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
SMILESCCc1nn(Cc2ccc(Cl)cc2)c(CC)c1CC(C)N
InChIInChI=1S/C17H24ClN3/c1-4-16-15(10-12(3)19)17(5-2)21(20-16)11-13-6-8-14(18)9-7-13/h6-9,12H,4-5,10-11,19H2,1-3H3
InChIKeyFJMDFPILVVNSPT-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine (CID 82700096) is 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine is CCc1nn(Cc2ccc(Cl)cc2)c(CC)c1CC(C)N.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine?
The InChIKey is FJMDFPILVVNSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-16-15(10-12(3)19)17(5-2)21(20-16)11-13-6-8-14(18)9-7-13/h6-9,12H,4-5,10-11,19H2,1-3H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine?
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 82700096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).