1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine

C13H21N5 — CID 106579477

IUPAC1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCCc1nn(C)cc1Cn1ccnc1NC(C)C
InChIInChI=1S/C13H21N5/c1-5-12-11(8-17(4)16-12)9-18-7-6-14-13(18)15-10(2)3/h6-8,10H,5,9H2,1-4H3,(H,14,15)
InChIKeyXXQJEKOUDYZQLH-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.05
Rot. Bonds5

About 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine

1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine (PubChem CID 106579477) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
PubChem CID106579477
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCCc1nn(C)cc1Cn1ccnc1NC(C)C
InChIInChI=1S/C13H21N5/c1-5-12-11(8-17(4)16-12)9-18-7-6-14-13(18)15-10(2)3/h6-8,10H,5,9H2,1-4H3,(H,14,15)
InChIKeyXXQJEKOUDYZQLH-UHFFFAOYSA-N
XLogP2.05
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567183
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
1-(naphthalen-1-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106571365
1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106581680
3-ethyl-1-methyl-4-(pyrrol-1-ylmethyl)pyrazole
CID 112671869
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine
CID 106579501
1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106580897
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
1-(1,3-dimethylpyrazol-4-yl)-N-propan-2-ylimidazol-2-amine
CID 106583195
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106565199

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine (CID 106579477) is 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine is CCc1nn(C)cc1Cn1ccnc1NC(C)C.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The InChIKey is XXQJEKOUDYZQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-12-11(8-17(4)16-12)9-18-7-6-14-13(18)15-10(2)3/h6-8,10H,5,9H2,1-4H3,(H,14,15).
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine?
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine has a molecular weight of 247.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106579477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).