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

C16H20Cl2N4O — CID 75393135

IUPACN-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine
SMILESClc1ccc(CNc2cnn(CCN3CCOCC3)c2)cc1Cl
InChIInChI=1S/C16H20Cl2N4O/c17-15-2-1-13(9-16(15)18)10-19-14-11-20-22(12-14)4-3-21-5-7-23-8-6-21/h1-2,9,11-12,19H,3-8,10H2
InChIKeyBZJNPUGHRHCNOH-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.13
Rot. Bonds6

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

N-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine (PubChem CID 75393135) has the molecular formula C16H20Cl2N4O and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine
PubChem CID75393135
Molecular FormulaC16H20Cl2N4O
Molecular Weight355.27 g/mol
Exact Mass354.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine
SMILESClc1ccc(CNc2cnn(CCN3CCOCC3)c2)cc1Cl
InChIInChI=1S/C16H20Cl2N4O/c17-15-2-1-13(9-16(15)18)10-19-14-11-20-22(12-14)4-3-21-5-7-23-8-6-21/h1-2,9,11-12,19H,3-8,10H2
InChIKeyBZJNPUGHRHCNOH-UHFFFAOYSA-N
XLogP3.13
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine (CID 75393135) is N-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine is Clc1ccc(CNc2cnn(CCN3CCOCC3)c2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine?
The InChIKey is BZJNPUGHRHCNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O/c17-15-2-1-13(9-16(15)18)10-19-14-11-20-22(12-14)4-3-21-5-7-23-8-6-21/h1-2,9,11-12,19H,3-8,10H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine?
N-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine has a molecular weight of 355.27 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine is sourced from PubChem (CID 75393135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).