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

C12H19N5 — CID 106721377

IUPAC1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2cnn(C)c2)cn1
InChIInChI=1S/C12H19N5/c1-3-11(13)4-12-8-17(9-14-12)7-10-5-15-16(2)6-10/h5-6,8-9,11H,3-4,7,13H2,1-2H3
InChIKeyMYSQVCCSHVKBSO-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.94
Rot. Bonds5

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

1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine (PubChem CID 106721377) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
PubChem CID106721377
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2cnn(C)c2)cn1
InChIInChI=1S/C12H19N5/c1-3-11(13)4-12-8-17(9-14-12)7-10-5-15-16(2)6-10/h5-6,8-9,11H,3-4,7,13H2,1-2H3
InChIKeyMYSQVCCSHVKBSO-UHFFFAOYSA-N
XLogP0.94
TPSA61.66 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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721337
1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine
CID 106721431
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719500
1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine
CID 106721438
1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731853
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721334
N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985929
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721394
1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine
CID 106721303
5-[4-(2-aminobutyl)imidazol-1-yl]pentanenitrile
CID 106721300
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine
CID 103015060

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine (CID 106721377) is 1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine is CCC(N)Cc1cn(Cc2cnn(C)c2)cn1.
What is the InChIKey of 1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine?
The InChIKey is MYSQVCCSHVKBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-11(13)4-12-8-17(9-14-12)7-10-5-15-16(2)6-10/h5-6,8-9,11H,3-4,7,13H2,1-2H3.
What are the key properties of 1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine?
1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine has a molecular weight of 233.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine is sourced from PubChem (CID 106721377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).