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

C15H27N3O — CID 106458284

IUPACN-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine
SMILESCCCOCCn1nc(C)c(CCNC2CC2)c1C
InChIInChI=1S/C15H27N3O/c1-4-10-19-11-9-18-13(3)15(12(2)17-18)7-8-16-14-5-6-14/h14,16H,4-11H2,1-3H3
InChIKeyAICLLHMADPOZSU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.22
Rot. Bonds9

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

N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine (PubChem CID 106458284) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine
PubChem CID106458284
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine
SMILESCCCOCCn1nc(C)c(CCNC2CC2)c1C
InChIInChI=1S/C15H27N3O/c1-4-10-19-11-9-18-13(3)15(12(2)17-18)7-8-16-14-5-6-14/h14,16H,4-11H2,1-3H3
InChIKeyAICLLHMADPOZSU-UHFFFAOYSA-N
XLogP2.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.22
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-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106455227
N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458283
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-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61483888
N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 79219679
[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 61483803
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61483845
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744769

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine (CID 106458284) is N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine is CCCOCCn1nc(C)c(CCNC2CC2)c1C.
What is the InChIKey of N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine?
The InChIKey is AICLLHMADPOZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-10-19-11-9-18-13(3)15(12(2)17-18)7-8-16-14-5-6-14/h14,16H,4-11H2,1-3H3.
What are the key properties of N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine?
N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine has a molecular weight of 265.40 g/mol, XLogP of 2.22, 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-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 106458284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).