N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine

C12H19N5 — CID 62221280

IUPACN-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1CCn1cccn1
InChIInChI=1S/C12H19N5/c1-11(2)14-10-12-13-5-7-16(12)8-9-17-6-3-4-15-17/h3-7,11,14H,8-10H2,1-2H3
InChIKeyLOTFIGMRWSNPQU-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.28
Rot. Bonds6

About N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine

N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine (PubChem CID 62221280) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
PubChem CID62221280
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nccn1CCn1cccn1
InChIInChI=1S/C12H19N5/c1-11(2)14-10-12-13-5-7-16(12)8-9-17-6-3-4-15-17/h3-7,11,14H,8-10H2,1-2H3
InChIKeyLOTFIGMRWSNPQU-UHFFFAOYSA-N
XLogP1.28
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
CID 65181164
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221278
N-[[1-(2-phenylsulfanylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 79228825
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62221815
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62223227
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222871
N-butan-2-yl-2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62221282
2-methyl-3-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
CID 62222354
2-[2-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenyl]acetic acid
CID 115463174
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956669

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine (CID 62221280) is N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nccn1CCn1cccn1.
What is the InChIKey of N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is LOTFIGMRWSNPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-11(2)14-10-12-13-5-7-16(12)8-9-17-6-3-4-15-17/h3-7,11,14H,8-10H2,1-2H3.
What are the key properties of N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine?
N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62221280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).