1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine

C15H28ClN3O2 — CID 102928661

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
SMILESCCCNC(CCOCCOC)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C15H28ClN3O2/c1-5-7-17-13(6-8-21-10-9-20-4)11-14-12(2)18-19(3)15(14)16/h13,17H,5-11H2,1-4H3
InChIKeyOAMPNWDGGJNZIN-UHFFFAOYSA-N
MW317.86 g/mol
LogP2.35
Rot. Bonds11

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine (PubChem CID 102928661) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
PubChem CID102928661
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
SMILESCCCNC(CCOCCOC)Cc1c(C)nn(C)c1Cl
InChIInChI=1S/C15H28ClN3O2/c1-5-7-17-13(6-8-21-10-9-20-4)11-14-12(2)18-19(3)15(14)16/h13,17H,5-11H2,1-4H3
InChIKeyOAMPNWDGGJNZIN-UHFFFAOYSA-N
XLogP2.35
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethoxy)-N-methylpropan-2-amine
CID 114032974
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225160
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methoxy-N-propylpentan-2-amine
CID 116716017
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151456
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylhexan-2-amine
CID 105035167
4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107051391
1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
CID 105245830
4-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylbutan-1-amine
CID 113470792
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-propoxy-N-propylbutan-2-amine
CID 105159851
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine
CID 105124668
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-propoxybutan-2-amine
CID 105158790
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 113470284

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine (CID 102928661) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine is CCCNC(CCOCCOC)Cc1c(C)nn(C)c1Cl.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine?
The InChIKey is OAMPNWDGGJNZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3O2/c1-5-7-17-13(6-8-21-10-9-20-4)11-14-12(2)18-19(3)15(14)16/h13,17H,5-11H2,1-4H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine has a molecular weight of 317.86 g/mol, XLogP of 2.35, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine is sourced from PubChem (CID 102928661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).