1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine

C15H28ClN3O2 — CID 114661470

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine
SMILESCCOC(C(NC)c1c(Cl)cnn1CCOC)C(C)(C)C
InChIInChI=1S/C15H28ClN3O2/c1-7-21-14(15(2,3)4)12(17-5)13-11(16)10-18-19(13)8-9-20-6/h10,12,14,17H,7-9H2,1-6H3
InChIKeySWFGYWQPRFLLQY-UHFFFAOYSA-N
MW317.86 g/mol
LogP2.89
Rot. Bonds8

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine (PubChem CID 114661470) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine
PubChem CID114661470
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine
SMILESCCOC(C(NC)c1c(Cl)cnn1CCOC)C(C)(C)C
InChIInChI=1S/C15H28ClN3O2/c1-7-21-14(15(2,3)4)12(17-5)13-11(16)10-18-19(13)8-9-20-6/h10,12,14,17H,7-9H2,1-6H3
InChIKeySWFGYWQPRFLLQY-UHFFFAOYSA-N
XLogP2.89
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N-ethylpropan-1-amine
CID 114652893
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-N-methylhexan-1-amine
CID 105054531
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine
CID 114661699
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-propylsulfanylethanamine
CID 114653578
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylnonan-1-amine
CID 105054424
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpentyl]hydrazine
CID 105342381
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202075
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine
CID 105238898
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine (CID 114661470) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine is CCOC(C(NC)c1c(Cl)cnn1CCOC)C(C)(C)C.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine?
The InChIKey is SWFGYWQPRFLLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3O2/c1-7-21-14(15(2,3)4)12(17-5)13-11(16)10-18-19(13)8-9-20-6/h10,12,14,17H,7-9H2,1-6H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine has a molecular weight of 317.86 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 114661470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).