N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine

C12H21N3O — CID 115770460

IUPACN-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine
SMILESC=CCOc1c(CNC(C)C)c(C)nn1C
InChIInChI=1S/C12H21N3O/c1-6-7-16-12-11(8-13-9(2)3)10(4)14-15(12)5/h6,9,13H,1,7-8H2,2-5H3
InChIKeyJJLDBLWTZZILNY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.79
Rot. Bonds6

About N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine

N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine (PubChem CID 115770460) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine
PubChem CID115770460
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine
SMILESC=CCOc1c(CNC(C)C)c(C)nn1C
InChIInChI=1S/C12H21N3O/c1-6-7-16-12-11(8-13-9(2)3)10(4)14-15(12)5/h6,9,13H,1,7-8H2,2-5H3
InChIKeyJJLDBLWTZZILNY-UHFFFAOYSA-N
XLogP1.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283362
N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283294
N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283039
N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43282838
N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43280266
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283267
N-[[1,3-dimethyl-5-(1-propylpyrazol-4-yl)oxypyrazol-4-yl]methyl]propan-2-amine
CID 116802238
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860862
N-[[5-(3-methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 63855625
N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]propan-2-amine
CID 55058277
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
CID 113381760

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine (CID 115770460) is N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine is C=CCOc1c(CNC(C)C)c(C)nn1C.
What is the InChIKey of N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is JJLDBLWTZZILNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-7-16-12-11(8-13-9(2)3)10(4)14-15(12)5/h6,9,13H,1,7-8H2,2-5H3.
What are the key properties of N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine?
N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 115770460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).