N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine

C16H27N5 — CID 106581880

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NCCCn2nc(C)cc2C)n1
InChIInChI=1S/C16H27N5/c1-12(2)10-20-11-14(4)18-16(20)17-7-6-8-21-15(5)9-13(3)19-21/h9,11-12H,6-8,10H2,1-5H3,(H,17,18)
InChIKeyJLANFMYZEBQAPA-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.16
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106581880) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106581880
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(NCCCn2nc(C)cc2C)n1
InChIInChI=1S/C16H27N5/c1-12(2)10-20-11-14(4)18-16(20)17-7-6-8-21-15(5)9-13(3)19-21/h9,11-12H,6-8,10H2,1-5H3,(H,17,18)
InChIKeyJLANFMYZEBQAPA-UHFFFAOYSA-N
XLogP3.16
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106581892
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106581885
N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
CID 106559563
4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine
CID 106563183
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
N-(2-ethoxyethyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554059
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine
CID 106581873
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 114536241
3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine
CID 114539015
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706659

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine (CID 106581880) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine is Cc1cn(CC(C)C)c(NCCCn2nc(C)cc2C)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is JLANFMYZEBQAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-12(2)10-20-11-14(4)18-16(20)17-7-6-8-21-15(5)9-13(3)19-21/h9,11-12H,6-8,10H2,1-5H3,(H,17,18).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 289.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106581880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).