3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide

C6H8N4O — CID 174963963

IUPAC3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide
SMILESCC1(C#N)NNC=C1C(N)=O
InChIInChI=1S/C6H8N4O/c1-6(3-7)4(5(8)11)2-9-10-6/h2,9-10H,1H3,(H2,8,11)
InChIKeyBQPCSSBUTYHPJS-UHFFFAOYSA-N
MW152.16 g/mol
LogP-1.25
Rot. Bonds1

About 3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide

3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide (PubChem CID 174963963) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide
PubChem CID174963963
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide
SMILESCC1(C#N)NNC=C1C(N)=O
InChIInChI=1S/C6H8N4O/c1-6(3-7)4(5(8)11)2-9-10-6/h2,9-10H,1H3,(H2,8,11)
InChIKeyBQPCSSBUTYHPJS-UHFFFAOYSA-N
XLogP-1.25
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide?
The IUPAC name of 3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide (CID 174963963) is 3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide.
What is the SMILES notation for 3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide?
The canonical SMILES for 3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide is CC1(C#N)NNC=C1C(N)=O.
What is the InChIKey of 3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide?
The InChIKey is BQPCSSBUTYHPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-6(3-7)4(5(8)11)2-9-10-6/h2,9-10H,1H3,(H2,8,11).
What are the key properties of 3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide?
3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide has a molecular weight of 152.16 g/mol, XLogP of -1.25, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide is sourced from PubChem (CID 174963963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).