N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine

C14H27N3O — CID 62731914

IUPACN-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(C)nn(CCCOC)c1C
InChIInChI=1S/C14H27N3O/c1-6-8-15-11(2)14-12(3)16-17(13(14)4)9-7-10-18-5/h11,15H,6-10H2,1-5H3
InChIKeyGBHFZZYUONLPDV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.60
Rot. Bonds8

About N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine

N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 62731914) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
PubChem CID62731914
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(C)nn(CCCOC)c1C
InChIInChI=1S/C14H27N3O/c1-6-8-15-11(2)14-12(3)16-17(13(14)4)9-7-10-18-5/h11,15H,6-10H2,1-5H3
InChIKeyGBHFZZYUONLPDV-UHFFFAOYSA-N
XLogP2.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.60
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

1-[1-(4-methoxybutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 104649593
4-(1-chloroethyl)-1-(3-methoxypropyl)-3,5-dimethylpyrazole
CID 62731648
1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 62731001
1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 103183818
1-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62731733
1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62730461
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843266
N-[[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 60925347
N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731006
N-[1-[3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 107053678
1-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 62730460
4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole
CID 79785419

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine (CID 62731914) is N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1c(C)nn(CCCOC)c1C.
What is the InChIKey of N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is GBHFZZYUONLPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-8-15-11(2)14-12(3)16-17(13(14)4)9-7-10-18-5/h11,15H,6-10H2,1-5H3.
What are the key properties of N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine?
N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62731914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).