N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide

C9H11N5O — CID 67395479

IUPACN-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)c1cnc[nH]1
InChIInChI=1S/C9H11N5O/c1-13-5-7(3-12-13)9(15)14(2)8-4-10-6-11-8/h3-6H,1-2H3,(H,10,11)
InChIKeyCAYACUIMEIFIRO-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.42
Rot. Bonds2

About N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide

N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 67395479) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide
PubChem CID67395479
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)c1cnc[nH]1
InChIInChI=1S/C9H11N5O/c1-13-5-7(3-12-13)9(15)14(2)8-4-10-6-11-8/h3-6H,1-2H3,(H,10,11)
InChIKeyCAYACUIMEIFIRO-UHFFFAOYSA-N
XLogP0.42
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide (CID 67395479) is N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)c1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is CAYACUIMEIFIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-13-5-7(3-12-13)9(15)14(2)8-4-10-6-11-8/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide?
N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-yl)-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 67395479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).