N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide

C11H12N6O — CID 19475491

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C11H12N6O/c1-3-17-9(4-5-13-17)11(18)15-10-8(6-12)7-14-16(10)2/h4-5,7H,3H2,1-2H3,(H,15,18)
InChIKeyMEBUNAOWWPAGIO-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.76
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide (PubChem CID 19475491) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide
PubChem CID19475491
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C11H12N6O/c1-3-17-9(4-5-13-17)11(18)15-10-8(6-12)7-14-16(10)2/h4-5,7H,3H2,1-2H3,(H,15,18)
InChIKeyMEBUNAOWWPAGIO-UHFFFAOYSA-N
XLogP0.76
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide (CID 19475491) is N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1c(C#N)cnn1C.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide?
The InChIKey is MEBUNAOWWPAGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-3-17-9(4-5-13-17)11(18)15-10-8(6-12)7-14-16(10)2/h4-5,7H,3H2,1-2H3,(H,15,18).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide has a molecular weight of 244.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19475491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).