N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine

C12H21N3O — CID 116803867

IUPACN-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine
SMILESCCCn1cc(OCCNCC2CC2)cn1
InChIInChI=1S/C12H21N3O/c1-2-6-15-10-12(9-14-15)16-7-5-13-8-11-3-4-11/h9-11,13H,2-8H2,1H3
InChIKeyJOAYHAIHIUXOHI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.67
Rot. Bonds8

About N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine

N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine (PubChem CID 116803867) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine
PubChem CID116803867
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine
SMILESCCCn1cc(OCCNCC2CC2)cn1
InChIInChI=1S/C12H21N3O/c1-2-6-15-10-12(9-14-15)16-7-5-13-8-11-3-4-11/h9-11,13H,2-8H2,1H3
InChIKeyJOAYHAIHIUXOHI-UHFFFAOYSA-N
XLogP1.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.67
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-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine
CID 116803768
N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803809
4-propoxy-1-propylpyrazole
CID 116805185
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
4-(5-chloro-3-methylpentoxy)-1-propylpyrazole
CID 116800930
N-[2-(4-propoxypyrazol-1-yl)ethyl]aniline
CID 114274287
N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803738
N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
CID 62583832
3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
CID 164576503
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine (CID 116803867) is N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine is CCCn1cc(OCCNCC2CC2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine?
The InChIKey is JOAYHAIHIUXOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-6-15-10-12(9-14-15)16-7-5-13-8-11-3-4-11/h9-11,13H,2-8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine?
N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine is sourced from PubChem (CID 116803867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).