N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine

C16H19Cl2N3 — CID 66441275

IUPACN-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C16H19Cl2N3/c1-2-7-19-9-12-10-20-21(16(12)11-3-4-11)15-6-5-13(17)8-14(15)18/h5-6,8,10-11,19H,2-4,7,9H2,1H3
InChIKeyJIEQXQCHAGYZMJ-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.56
Rot. Bonds6

About N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine

N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 66441275) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID66441275
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC NameN-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C16H19Cl2N3/c1-2-7-19-9-12-10-20-21(16(12)11-3-4-11)15-6-5-13(17)8-14(15)18/h5-6,8,10-11,19H,2-4,7,9H2,1H3
InChIKeyJIEQXQCHAGYZMJ-UHFFFAOYSA-N
XLogP4.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.56
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

[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
CID 66438989
N-[[5-cyclopropyl-1-(2,5-dimethylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442303
N-[[1-(4-bromo-2-methylphenyl)-5-cyclopropylpyrazol-4-yl]methyl]propan-1-amine
CID 104509066
N-[[5-cyclopropyl-1-(3-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442486
N-[[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methyl]ethanamine
CID 66440038
ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56558481
N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440263
N-[[1-(2-chlorophenyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66440099
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)pyrazole-4-carboxamide
CID 55604750
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
CID 55616369
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 54982311
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 55606584

Frequently Asked Questions

What is the IUPAC name of N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine (CID 66441275) is N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1.
What is the InChIKey of N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is JIEQXQCHAGYZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-2-7-19-9-12-10-20-21(16(12)11-3-4-11)15-6-5-13(17)8-14(15)18/h5-6,8,10-11,19H,2-4,7,9H2,1H3.
What are the key properties of N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine?
N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 324.26 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66441275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).