3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine

C15H20ClN3O — CID 62719108

IUPAC3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H20ClN3O/c1-20-9-8-17-7-3-4-13-11-18-19(12-13)15-6-2-5-14(16)10-15/h2,5-6,10-12,17H,3-4,7-9H2,1H3
InChIKeyPNBRPRWJMDXTCS-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.69
Rot. Bonds8

About 3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine

3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62719108) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
PubChem CID62719108
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H20ClN3O/c1-20-9-8-17-7-3-4-13-11-18-19(12-13)15-6-2-5-14(16)10-15/h2,5-6,10-12,17H,3-4,7-9H2,1H3
InChIKeyPNBRPRWJMDXTCS-UHFFFAOYSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(2-methoxyethylamino)propyl]pyrazol-1-yl]benzonitrile
CID 62719315
3-[1-(3-bromophenyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62719469
N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine
CID 62718601
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
CID 63276788
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
N-[[3-(4-iodopyrazol-1-yl)phenyl]methyl]-3-methoxypropan-1-amine
CID 165475686
N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270362
N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 62719146
3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62718617
3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 55504998
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111358391
3-[1-(3-nitrophenyl)pyrazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 62719112

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine (CID 62719108) is 3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine is COCCNCCCc1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is PNBRPRWJMDXTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-20-9-8-17-7-3-4-13-11-18-19(12-13)15-6-2-5-14(16)10-15/h2,5-6,10-12,17H,3-4,7-9H2,1H3.
What are the key properties of 3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine?
3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 293.80 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62719108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).