N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide

C10H14N4O — CID 51089502

IUPACN-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide
SMILESCCCC(C#N)NC(=O)c1cnn(C)c1
InChIInChI=1S/C10H14N4O/c1-3-4-9(5-11)13-10(15)8-6-12-14(2)7-8/h6-7,9H,3-4H2,1-2H3,(H,13,15)
InChIKeyWGNDVAXJLILEDJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.84
Rot. Bonds4

About N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide

N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide (PubChem CID 51089502) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide
PubChem CID51089502
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide
SMILESCCCC(C#N)NC(=O)c1cnn(C)c1
InChIInChI=1S/C10H14N4O/c1-3-4-9(5-11)13-10(15)8-6-12-14(2)7-8/h6-7,9H,3-4H2,1-2H3,(H,13,15)
InChIKeyWGNDVAXJLILEDJ-UHFFFAOYSA-N
XLogP0.84
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide (CID 51089502) is N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide is CCCC(C#N)NC(=O)c1cnn(C)c1.
What is the InChIKey of N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is WGNDVAXJLILEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-4-9(5-11)13-10(15)8-6-12-14(2)7-8/h6-7,9H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide?
N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 51089502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).