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

C17H24ClN3 — CID 107431053

IUPACN-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(-c2ccccc2Cl)c1CC
InChIInChI=1S/C17H24ClN3/c1-4-11-19-12-13-15(5-2)20-21(16(13)6-3)17-10-8-7-9-14(17)18/h7-10,19H,4-6,11-12H2,1-3H3
InChIKeyPZNPWKXCAWMXAR-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.15
Rot. Bonds7

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

N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine (PubChem CID 107431053) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
PubChem CID107431053
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(-c2ccccc2Cl)c1CC
InChIInChI=1S/C17H24ClN3/c1-4-11-19-12-13-15(5-2)20-21(16(13)6-3)17-10-8-7-9-14(17)18/h7-10,19H,4-6,11-12H2,1-3H3
InChIKeyPZNPWKXCAWMXAR-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-chlorophenyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66440099
2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79220424
N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107431163
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[[2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 62128517
N-[[1-(4-bromo-2-methylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine
CID 107431168
N-[[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]methyl]propan-1-amine
CID 82924251
N-[2-(3,5-diethyl-1-pyridazin-3-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 103294605
N-[[1-[2-(dimethylamino)ethyl]-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 107431118
1-[1-(4-chloro-3-fluorophenyl)-3,5-diethylpyrazol-4-yl]-N-methylmethanamine
CID 107431150
N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 82697464
N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 82697542

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine (CID 107431053) is N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine is CCCNCc1c(CC)nn(-c2ccccc2Cl)c1CC.
What is the InChIKey of N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is PZNPWKXCAWMXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-11-19-12-13-15(5-2)20-21(16(13)6-3)17-10-8-7-9-14(17)18/h7-10,19H,4-6,11-12H2,1-3H3.
What are the key properties of N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine?
N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 107431053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).