2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine

C13H21N5 — CID 102969698

IUPAC2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1-c1cnn(C(C)C)c1
InChIInChI=1S/C13H21N5/c1-9(2)13(14)12-6-15-8-17(12)11-5-16-18(7-11)10(3)4/h5-10,13H,14H2,1-4H3
InChIKeyZPFCURQVDGSKDB-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.31
Rot. Bonds4

About 2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine

2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine (PubChem CID 102969698) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine
PubChem CID102969698
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine
SMILESCC(C)C(N)c1cncn1-c1cnn(C(C)C)c1
InChIInChI=1S/C13H21N5/c1-9(2)13(14)12-6-15-8-17(12)11-5-16-18(7-11)10(3)4/h5-10,13H,14H2,1-4H3
InChIKeyZPFCURQVDGSKDB-UHFFFAOYSA-N
XLogP2.31
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-difluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969456
2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol
CID 102969561
2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]propan-1-amine
CID 102969409
3-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720067
4-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720076
1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969634
1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969902
1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-2-methylpropan-1-amine
CID 107465376
1-[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 103587988
1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 107641151
4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 107810754
1-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine (CID 102969698) is 2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine is CC(C)C(N)c1cncn1-c1cnn(C(C)C)c1.
What is the InChIKey of 2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine?
The InChIKey is ZPFCURQVDGSKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(2)13(14)12-6-15-8-17(12)11-5-16-18(7-11)10(3)4/h5-10,13H,14H2,1-4H3.
What are the key properties of 2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine?
2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine has a molecular weight of 247.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 102969698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).