1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine

C15H18Cl2N4O — CID 24743568

IUPAC1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine
SMILESClc1ccc(-n2ccc(NCCN3CCOCC3)n2)cc1Cl
InChIInChI=1S/C15H18Cl2N4O/c16-13-2-1-12(11-14(13)17)21-5-3-15(19-21)18-4-6-20-7-9-22-10-8-20/h1-3,5,11H,4,6-10H2,(H,18,19)
InChIKeyJVFBDPXGXNHKEA-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.92
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine

1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine (PubChem CID 24743568) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine
PubChem CID24743568
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine
SMILESClc1ccc(-n2ccc(NCCN3CCOCC3)n2)cc1Cl
InChIInChI=1S/C15H18Cl2N4O/c16-13-2-1-12(11-14(13)17)21-5-3-15(19-21)18-4-6-20-7-9-22-10-8-20/h1-3,5,11H,4,6-10H2,(H,18,19)
InChIKeyJVFBDPXGXNHKEA-UHFFFAOYSA-N
XLogP2.92
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide
CID 24743571
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)pyrazol-3-amine
CID 24743572
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76073628
1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-1,2,3-triazol-4-amine
CID 76683773
1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76683982
1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-N-propyl-1H-1,2,3-triazol-4-amine
CID 76684475
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684477
1-(1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl)-1-(2-morpholinoethyl)-3-propylthiourea
CID 76684479
2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide
CID 155568071
1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
CID 57398579
1-(3,4-Dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
CID 155527570
N-(3-chloro-4-fluorophenyl)-5-morpholin-4-yl-1H-pyrazol-4-amine
CID 57147312

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine (CID 24743568) is 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine is Clc1ccc(-n2ccc(NCCN3CCOCC3)n2)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine?
The InChIKey is JVFBDPXGXNHKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c16-13-2-1-12(11-14(13)17)21-5-3-15(19-21)18-4-6-20-7-9-22-10-8-20/h1-3,5,11H,4,6-10H2,(H,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine?
1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine has a molecular weight of 341.24 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine is sourced from PubChem (CID 24743568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).