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

C13H23N3O — CID 103782776

IUPACN-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(C)NCCOCC1CC1
InChIInChI=1S/C13H23N3O/c1-10(13-8-16(3)15-11(13)2)14-6-7-17-9-12-4-5-12/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyHGMBFNRARZGQOY-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.81
Rot. Bonds7

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

N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine (PubChem CID 103782776) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
PubChem CID103782776
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(C)NCCOCC1CC1
InChIInChI=1S/C13H23N3O/c1-10(13-8-16(3)15-11(13)2)14-6-7-17-9-12-4-5-12/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyHGMBFNRARZGQOY-UHFFFAOYSA-N
XLogP1.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.81
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-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65197276
3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890681
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82941029
N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 103782851
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 65191903
1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103778774
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylcyclohexan-1-amine
CID 65196831
1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 65192315
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylprop-2-en-1-amine
CID 115903248

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine (CID 103782776) is N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine is Cc1nn(C)cc1C(C)NCCOCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is HGMBFNRARZGQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(13-8-16(3)15-11(13)2)14-6-7-17-9-12-4-5-12/h8,10,12,14H,4-7,9H2,1-3H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine?
N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.81, 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-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103782776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).