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

C12H19N5 — CID 106719500

IUPACN-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2cnn(C)c2)cn1
InChIInChI=1S/C12H19N5/c1-10(2)13-5-12-8-17(9-14-12)7-11-4-15-16(3)6-11/h4,6,8-10,13H,5,7H2,1-3H3
InChIKeyYEBSYILHUAFEBK-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.16
Rot. Bonds5

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

N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 106719500) 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-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID106719500
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2cnn(C)c2)cn1
InChIInChI=1S/C12H19N5/c1-10(2)13-5-12-8-17(9-14-12)7-11-4-15-16(3)6-11/h4,6,8-10,13H,5,7H2,1-3H3
InChIKeyYEBSYILHUAFEBK-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

N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719484
4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol
CID 106719587
1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721377
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719431
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985929
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719343
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62221815
N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 114204577
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719449
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719402

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 106719500) is N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(Cc2cnn(C)c2)cn1.
What is the InChIKey of N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is YEBSYILHUAFEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-10(2)13-5-12-8-17(9-14-12)7-11-4-15-16(3)6-11/h4,6,8-10,13H,5,7H2,1-3H3.
What are the key properties of N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-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-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106719500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).