2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine

C12H19N5 — CID 107447009

IUPAC2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncn1Cc1cn[nH]c1
InChIInChI=1S/C12H19N5/c1-12(2,3)14-7-11-6-13-9-17(11)8-10-4-15-16-5-10/h4-6,9,14H,7-8H2,1-3H3,(H,15,16)
InChIKeyPXBRBGSXORXJER-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.54
Rot. Bonds4

About 2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 107447009) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID107447009
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncn1Cc1cn[nH]c1
InChIInChI=1S/C12H19N5/c1-12(2,3)14-7-11-6-13-9-17(11)8-10-4-15-16-5-10/h4-6,9,14H,7-8H2,1-3H3,(H,15,16)
InChIKeyPXBRBGSXORXJER-UHFFFAOYSA-N
XLogP1.54
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine (CID 107447009) is 2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)(C)NCc1cncn1Cc1cn[nH]c1.
What is the InChIKey of 2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is PXBRBGSXORXJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-12(2,3)14-7-11-6-13-9-17(11)8-10-4-15-16-5-10/h4-6,9,14H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 107447009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).