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

C14H25N3O — CID 106455227

IUPACN-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCOCCn1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C14H25N3O/c1-4-8-18-9-7-17-12(3)14(11(2)16-17)10-15-13-5-6-13/h13,15H,4-10H2,1-3H3
InChIKeyDTAGSLSPHNZGQU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.18
Rot. Bonds8

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

N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 106455227) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID106455227
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCOCCn1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C14H25N3O/c1-4-8-18-9-7-17-12(3)14(11(2)16-17)10-15-13-5-6-13/h13,15H,4-10H2,1-3H3
InChIKeyDTAGSLSPHNZGQU-UHFFFAOYSA-N
XLogP2.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.18
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-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55110647
N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458283
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61483845
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61483888
4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol
CID 79355509
N-[[3,5-dimethyl-1-(3-methylsulfonylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55162738
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 43648049
[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 61483803
N-[[3,5-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 107913059

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 106455227) is N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine is CCCOCCn1nc(C)c(CNC2CC2)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is DTAGSLSPHNZGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-8-18-9-7-17-12(3)14(11(2)16-17)10-15-13-5-6-13/h13,15H,4-10H2,1-3H3.
What are the key properties of N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 251.37 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106455227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).