4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide

C12H18N6O — CID 66122214

IUPAC4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCCn2ccnc2)c1N
InChIInChI=1S/C12H18N6O/c1-9-10(13)11(17(2)16-9)12(19)15-4-3-6-18-7-5-14-8-18/h5,7-8H,3-4,6,13H2,1-2H3,(H,15,19)
InChIKeyAUALRMDLCZCONG-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.33
Rot. Bonds5

About 4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66122214) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66122214
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCCn2ccnc2)c1N
InChIInChI=1S/C12H18N6O/c1-9-10(13)11(17(2)16-9)12(19)15-4-3-6-18-7-5-14-8-18/h5,7-8H,3-4,6,13H2,1-2H3,(H,15,19)
InChIKeyAUALRMDLCZCONG-UHFFFAOYSA-N
XLogP0.33
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4772684
4-amino-1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 66124598
4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081438
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
4-amino-1,3-dimethyl-N-pent-4-ynylpyrazole-5-carboxamide
CID 106219829
4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide
CID 113287247
4-amino-N-[2-(methanesulfonamido)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66120267
3-imidazol-1-ylpropylurea
CID 22179621
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide (CID 66122214) is 4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCCCn2ccnc2)c1N.
What is the InChIKey of 4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is AUALRMDLCZCONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-9-10(13)11(17(2)16-9)12(19)15-4-3-6-18-7-5-14-8-18/h5,7-8H,3-4,6,13H2,1-2H3,(H,15,19).
What are the key properties of 4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66122214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).