N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine

C17H33N3O — CID 106458285

IUPACN-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1nn(CCOCC(C)C)c(C)c1CCNC(C)(C)C
InChIInChI=1S/C17H33N3O/c1-13(2)12-21-11-10-20-15(4)16(14(3)19-20)8-9-18-17(5,6)7/h13,18H,8-12H2,1-7H3
InChIKeyWTDNBAOLQMREEC-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.10
Rot. Bonds8

About N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine

N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 106458285) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine
PubChem CID106458285
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1nn(CCOCC(C)C)c(C)c1CCNC(C)(C)C
InChIInChI=1S/C17H33N3O/c1-13(2)12-21-11-10-20-15(4)16(14(3)19-20)8-9-18-17(5,6)7/h13,18H,8-12H2,1-7H3
InChIKeyWTDNBAOLQMREEC-UHFFFAOYSA-N
XLogP3.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458283
1-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethanamine
CID 106457366
3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazole-4-carboxylic acid
CID 106453864
N-[2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 65178222
N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458284
2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 75505877
N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine
CID 83168483
2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65178167
N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 103413495
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 63106195
1-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 62730460
1-[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 61490781

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine (CID 106458285) is N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine is Cc1nn(CCOCC(C)C)c(C)c1CCNC(C)(C)C.
What is the InChIKey of N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is WTDNBAOLQMREEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13(2)12-21-11-10-20-15(4)16(14(3)19-20)8-9-18-17(5,6)7/h13,18H,8-12H2,1-7H3.
What are the key properties of N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 295.47 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106458285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).