N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C14H25N3O — CID 103782851

IUPACN-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NCCOCC1CC1
InChIInChI=1S/C14H25N3O/c1-10(14-11(2)16-17(4)12(14)3)15-7-8-18-9-13-5-6-13/h10,13,15H,5-9H2,1-4H3
InChIKeyXSOIDIKWVBVPHX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.11
Rot. Bonds7

About N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 103782851) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID103782851
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NCCOCC1CC1
InChIInChI=1S/C14H25N3O/c1-10(14-11(2)16-17(4)12(14)3)15-7-8-18-9-13-5-6-13/h10,13,15H,5-9H2,1-4H3
InChIKeyXSOIDIKWVBVPHX-UHFFFAOYSA-N
XLogP2.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.11
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-[2-(dimethylamino)ethoxy]ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107094110
N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 103782776
3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776530
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 113348518
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914
2-chloro-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-en-1-amine
CID 115891116
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 107270383
N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 103903763
3-phenoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 62379121
4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole
CID 130616608
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731006

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 103782851) is N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1C(C)NCCOCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is XSOIDIKWVBVPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(14-11(2)16-17(4)12(14)3)15-7-8-18-9-13-5-6-13/h10,13,15H,5-9H2,1-4H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103782851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).