N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide

C10H14N6O — CID 107971078

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCCn2cc(N)cn2)c1
InChIInChI=1S/C10H14N6O/c1-15-6-9(13-7-15)10(17)12-2-3-16-5-8(11)4-14-16/h4-7H,2-3,11H2,1H3,(H,12,17)
InChIKeyNKZUIZPRYXGVHZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.37
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide (PubChem CID 107971078) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide
PubChem CID107971078
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCCn2cc(N)cn2)c1
InChIInChI=1S/C10H14N6O/c1-15-6-9(13-7-15)10(17)12-2-3-16-5-8(11)4-14-16/h4-7H,2-3,11H2,1H3,(H,12,17)
InChIKeyNKZUIZPRYXGVHZ-UHFFFAOYSA-N
XLogP-0.37
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
CID 118781993
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 115319552
N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
1-methyl-N-[2-(4-methylimidazol-1-yl)ethyl]imidazole-4-carboxamide
CID 134372971
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-propylpentanamide
CID 82985272
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylsulfanylbenzamide
CID 115319726
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
CID 82881102
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-methylsulfonylacetamide
CID 115319573
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylpentanamide
CID 115319745
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 115319640

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide (CID 107971078) is N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)NCCn2cc(N)cn2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide?
The InChIKey is NKZUIZPRYXGVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-15-6-9(13-7-15)10(17)12-2-3-16-5-8(11)4-14-16/h4-7H,2-3,11H2,1H3,(H,12,17).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide has a molecular weight of 234.26 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107971078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).