N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine

C14H23N5 — CID 106581873

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NCCCn1nc(C)cc1C
InChIInChI=1S/C14H23N5/c1-4-8-18-10-7-16-14(18)15-6-5-9-19-13(3)11-12(2)17-19/h7,10-11H,4-6,8-9H2,1-3H3,(H,15,16)
InChIKeyPZJRUCAYMFHVII-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.61
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine (PubChem CID 106581873) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine
PubChem CID106581873
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine
SMILESCCCn1ccnc1NCCCn1nc(C)cc1C
InChIInChI=1S/C14H23N5/c1-4-8-18-10-7-16-14(18)15-6-5-9-19-13(3)11-12(2)17-19/h7,10-11H,4-6,8-9H2,1-3H3,(H,15,16)
InChIKeyPZJRUCAYMFHVII-UHFFFAOYSA-N
XLogP2.61
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.61
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-hexyl-1-propylimidazol-2-amine
CID 106573792
N-cyclopropyl-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-2-amine
CID 106581900
N-(4-methylpentyl)-1-propylimidazol-2-amine
CID 106572167
N-cyclopentyl-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-2-amine
CID 106581877
N-butyl-1-hexylimidazol-2-amine
CID 106573794
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrazine-2-carbothioamide
CID 114536969
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106581880
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106581885
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 78863268

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine (CID 106581873) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine is CCCn1ccnc1NCCCn1nc(C)cc1C.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine?
The InChIKey is PZJRUCAYMFHVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-8-18-10-7-16-14(18)15-6-5-9-19-13(3)11-12(2)17-19/h7,10-11H,4-6,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propylimidazol-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.61, 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]-1-propylimidazol-2-amine is sourced from PubChem (CID 106581873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).