N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine

C15H25N5O — CID 63070769

IUPACN-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(C)c1-n1ccc(C(C)C)n1
InChIInChI=1S/C15H25N5O/c1-11(2)14-6-8-20(18-14)15-13(10-16-7-9-21-5)12(3)17-19(15)4/h6,8,11,16H,7,9-10H2,1-5H3
InChIKeyMFABQWWLPGYTNA-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.77
Rot. Bonds7

About N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 63070769) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID63070769
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(C)c1-n1ccc(C(C)C)n1
InChIInChI=1S/C15H25N5O/c1-11(2)14-6-8-20(18-14)15-13(10-16-7-9-21-5)12(3)17-19(15)4/h6,8,11,16H,7,9-10H2,1-5H3
InChIKeyMFABQWWLPGYTNA-UHFFFAOYSA-N
XLogP1.77
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]propan-2-amine
CID 55235642
N-[[5-(azocan-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060889
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 55134728
1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol
CID 102960925
N-[[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060693
N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 104959480
N-[[5-(2-chlorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63804911
3-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol
CID 66137994
2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine
CID 82452119
2-methoxy-N-[[5-(3-methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63856362
N-[[1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63806969

Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine (CID 63070769) is N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1c(C)nn(C)c1-n1ccc(C(C)C)n1.
What is the InChIKey of N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is MFABQWWLPGYTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(2)14-6-8-20(18-14)15-13(10-16-7-9-21-5)12(3)17-19(15)4/h6,8,11,16H,7,9-10H2,1-5H3.
What are the key properties of N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 291.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63070769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).