3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide

C6H11N3O — CID 558150

IUPAC3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(N)=O)C(C)C1
InChIInChI=1S/C6H11N3O/c1-4-3-5(2)9(8-4)6(7)10/h5H,3H2,1-2H3,(H2,7,10)
InChIKeyOSFYCQDPGDHQII-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.54
Rot. Bonds

About 3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide

3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 558150) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID558150
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(N)=O)C(C)C1
InChIInChI=1S/C6H11N3O/c1-4-3-5(2)9(8-4)6(7)10/h5H,3H2,1-2H3,(H2,7,10)
InChIKeyOSFYCQDPGDHQII-UHFFFAOYSA-N
XLogP0.54
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide (CID 558150) is 3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide is CC1=NN(C(N)=O)C(C)C1.
What is the InChIKey of 3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is OSFYCQDPGDHQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-3-5(2)9(8-4)6(7)10/h5H,3H2,1-2H3,(H2,7,10).
What are the key properties of 3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide?
3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 141.17 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 558150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).