4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine

C13H21N5 — CID 106579067

IUPAC4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NCc2ccn(C)n2)n1
InChIInChI=1S/C13H21N5/c1-10(2)8-18-9-11(3)15-13(18)14-7-12-5-6-17(4)16-12/h5-6,9-10H,7-8H2,1-4H3,(H,14,15)
InChIKeyNQSFIVYRBWMFQX-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.19
Rot. Bonds5

About 4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine

4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine (PubChem CID 106579067) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine
PubChem CID106579067
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NCc2ccn(C)n2)n1
InChIInChI=1S/C13H21N5/c1-10(2)8-18-9-11(3)15-13(18)14-7-12-5-6-17(4)16-12/h5-6,9-10H,7-8H2,1-4H3,(H,14,15)
InChIKeyNQSFIVYRBWMFQX-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
CID 106577993
N-[(3-methoxyphenyl)methyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106563494
4-methyl-1-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554402
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106581880
N-(2-ethoxyethyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554059
N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
CID 106559563
4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine
CID 106563183
4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine
CID 106572129
4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 82873661
N-cyclopropyl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554938
N-(4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106558695
2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126965380

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine (CID 106579067) is 4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine is Cc1cn(CC(C)C)c(NCc2ccn(C)n2)n1.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine?
The InChIKey is NQSFIVYRBWMFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10(2)8-18-9-11(3)15-13(18)14-7-12-5-6-17(4)16-12/h5-6,9-10H,7-8H2,1-4H3,(H,14,15).
What are the key properties of 4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine?
4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine has a molecular weight of 247.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106579067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).