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

C6H11N3O — CID 45084154

IUPACN,3-dimethyl-3,4-dihydropyrazole-2-carboxamide
SMILESCNC(=O)N1N=CCC1C
InChIInChI=1S/C6H11N3O/c1-5-3-4-8-9(5)6(10)7-2/h4-5H,3H2,1-2H3,(H,7,10)
InChIKeyTXSYCEUZWJFRLC-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.41
Rot. Bonds

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

N,3-dimethyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 45084154) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N,3-dimethyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID45084154
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN,3-dimethyl-3,4-dihydropyrazole-2-carboxamide
SMILESCNC(=O)N1N=CCC1C
InChIInChI=1S/C6H11N3O/c1-5-3-4-8-9(5)6(10)7-2/h4-5H,3H2,1-2H3,(H,7,10)
InChIKeyTXSYCEUZWJFRLC-UHFFFAOYSA-N
XLogP0.41
TPSA44.70 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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N,3-dimethyl-3,4-dihydropyrazole-2-carboxamide (CID 45084154) is N,3-dimethyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N,3-dimethyl-3,4-dihydropyrazole-2-carboxamide is CNC(=O)N1N=CCC1C.
What is the InChIKey of N,3-dimethyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is TXSYCEUZWJFRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5-3-4-8-9(5)6(10)7-2/h4-5H,3H2,1-2H3,(H,7,10).
What are the key properties of N,3-dimethyl-3,4-dihydropyrazole-2-carboxamide?
N,3-dimethyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 141.17 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 45084154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).