N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine

C16H32N4O — CID 63691553

IUPACN-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine
SMILESCCOCCN(CC)c1c(CNCC(C)C)c(C)nn1C
InChIInChI=1S/C16H32N4O/c1-7-20(9-10-21-8-2)16-15(12-17-11-13(3)4)14(5)18-19(16)6/h13,17H,7-12H2,1-6H3
InChIKeyPGZAIPRCDUKRCF-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.34
Rot. Bonds10

About N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine

N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine (PubChem CID 63691553) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine
PubChem CID63691553
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine
SMILESCCOCCN(CC)c1c(CNCC(C)C)c(C)nn1C
InChIInChI=1S/C16H32N4O/c1-7-20(9-10-21-8-2)16-15(12-17-11-13(3)4)14(5)18-19(16)6/h13,17H,7-12H2,1-6H3
InChIKeyPGZAIPRCDUKRCF-UHFFFAOYSA-N
XLogP2.34
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-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

[5-[2-ethoxyethyl(ethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 63696879
4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine
CID 63697047
N-(2-methoxyethyl)-N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine
CID 63060790
N-butyl-N-ethyl-1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280756
4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine
CID 63058730
N-(2-ethoxyethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63691445
1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine
CID 107870543
3-ethoxy-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126965471
4-[(tert-butylamino)methyl]-N-ethyl-1,3-dimethyl-N-(2-methylpropyl)pyrazol-5-amine
CID 63059837
5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63691375
N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
CID 63072635
2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 107481446

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine (CID 63691553) is N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine is CCOCCN(CC)c1c(CNCC(C)C)c(C)nn1C.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine?
The InChIKey is PGZAIPRCDUKRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-7-20(9-10-21-8-2)16-15(12-17-11-13(3)4)14(5)18-19(16)6/h13,17H,7-12H2,1-6H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine?
N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine has a molecular weight of 296.46 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine is sourced from PubChem (CID 63691553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).