4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide

C12H18N6O — CID 62081438

IUPAC4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCCCn2ccnc2)c1N
InChIInChI=1S/C12H18N6O/c1-9-10(13)11(17-16-9)12(19)15-4-2-3-6-18-7-5-14-8-18/h5,7-8H,2-4,6,13H2,1H3,(H,15,19)(H,16,17)
InChIKeyDMYBEMNTACROBO-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.71
Rot. Bonds6

About 4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 62081438) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID62081438
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCCCn2ccnc2)c1N
InChIInChI=1S/C12H18N6O/c1-9-10(13)11(17-16-9)12(19)15-4-2-3-6-18-7-5-14-8-18/h5,7-8H,2-4,6,13H2,1H3,(H,15,19)(H,16,17)
InChIKeyDMYBEMNTACROBO-UHFFFAOYSA-N
XLogP0.71
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 60906487
4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122214
N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998273
4-amino-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 55034045
4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62081384
5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 167904914
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide
CID 110445327
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
CID 107075037

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 62081438) is 4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCCCn2ccnc2)c1N.
What is the InChIKey of 4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is DMYBEMNTACROBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-9-10(13)11(17-16-9)12(19)15-4-2-3-6-18-7-5-14-8-18/h5,7-8H,2-4,6,13H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).