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

C16H29N3O — CID 106458283

IUPACN-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
SMILESCc1nn(CCOCC(C)C)c(C)c1CCNC1CC1
InChIInChI=1S/C16H29N3O/c1-12(2)11-20-10-9-19-14(4)16(13(3)18-19)7-8-17-15-5-6-15/h12,15,17H,5-11H2,1-4H3
InChIKeyORUOENWJHXBSNC-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.47
Rot. Bonds9

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

N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine (PubChem CID 106458283) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
PubChem CID106458283
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
SMILESCc1nn(CCOCC(C)C)c(C)c1CCNC1CC1
InChIInChI=1S/C16H29N3O/c1-12(2)11-20-10-9-19-14(4)16(13(3)18-19)7-8-17-15-5-6-15/h12,15,17H,5-11H2,1-4H3
InChIKeyORUOENWJHXBSNC-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.47
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-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458284
N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]-2-methylpropan-2-amine
CID 106458285
N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106455227
N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55110647
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 63106366
N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 103015727
N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 114532019
N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 79219679
1-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethanamine
CID 106457366
N-[2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 65178222
N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498
N-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine
CID 79225703

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine (CID 106458283) is N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine is Cc1nn(CCOCC(C)C)c(C)c1CCNC1CC1.
What is the InChIKey of N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine?
The InChIKey is ORUOENWJHXBSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)11-20-10-9-19-14(4)16(13(3)18-19)7-8-17-15-5-6-15/h12,15,17H,5-11H2,1-4H3.
What are the key properties of N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine?
N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine has a molecular weight of 279.43 g/mol, XLogP of 2.47, 9 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]cyclopropanamine is sourced from PubChem (CID 106458283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).