N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide

C9H11N5O — CID 102807490

IUPACN-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide
SMILESCc1nn(C)cc1NC(=O)n1ccnc1
InChIInChI=1S/C9H11N5O/c1-7-8(5-13(2)12-7)11-9(15)14-4-3-10-6-14/h3-6H,1-2H3,(H,11,15)
InChIKeyXXEYWDFTSONMKC-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.01
Rot. Bonds1

About N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide

N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide (PubChem CID 102807490) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide
PubChem CID102807490
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide
SMILESCc1nn(C)cc1NC(=O)n1ccnc1
InChIInChI=1S/C9H11N5O/c1-7-8(5-13(2)12-7)11-9(15)14-4-3-10-6-14/h3-6H,1-2H3,(H,11,15)
InChIKeyXXEYWDFTSONMKC-UHFFFAOYSA-N
XLogP1.01
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide (CID 102807490) is N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide is Cc1nn(C)cc1NC(=O)n1ccnc1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide?
The InChIKey is XXEYWDFTSONMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-7-8(5-13(2)12-7)11-9(15)14-4-3-10-6-14/h3-6H,1-2H3,(H,11,15).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide is sourced from PubChem (CID 102807490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).