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

C12H19N5 — CID 62221815

IUPACN-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1Cc1cnn(C)c1
InChIInChI=1S/C12H19N5/c1-10(2)14-7-12-13-4-5-17(12)9-11-6-15-16(3)8-11/h4-6,8,10,14H,7,9H2,1-3H3
InChIKeyIBGJNELYGRQXLU-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.16
Rot. Bonds5

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

N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine (PubChem CID 62221815) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
PubChem CID62221815
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1Cc1cnn(C)c1
InChIInChI=1S/C12H19N5/c1-10(2)14-7-12-13-4-5-17(12)9-11-6-15-16(3)8-11/h4-6,8,10,14H,7,9H2,1-3H3
InChIKeyIBGJNELYGRQXLU-UHFFFAOYSA-N
XLogP1.16
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.16
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-methyl-4-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 62403698
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222871
N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221280
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719500
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221278
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 79228825
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62289751
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62223227
2-[2-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenyl]acetic acid
CID 115463174

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine (CID 62221815) is N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nccn1Cc1cnn(C)c1.
What is the InChIKey of N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is IBGJNELYGRQXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-10(2)14-7-12-13-4-5-17(12)9-11-6-15-16(3)8-11/h4-6,8,10,14H,7,9H2,1-3H3.
What are the key properties of N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine?
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62221815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).