1-methylpyrazole-4,5-dicarboxamide

C6H8N4O2 — CID 71779722

IUPAC1-methylpyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(N)=O)c1C(N)=O
InChIInChI=1S/C6H8N4O2/c1-10-4(6(8)12)3(2-9-10)5(7)11/h2H,1H3,(H2,7,11)(H2,8,12)
InChIKeyVHLDIMUILPVMGR-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.38
Rot. Bonds2

About 1-methylpyrazole-4,5-dicarboxamide

1-methylpyrazole-4,5-dicarboxamide (PubChem CID 71779722) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-methylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-methylpyrazole-4,5-dicarboxamide
PubChem CID71779722
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name1-methylpyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(N)=O)c1C(N)=O
InChIInChI=1S/C6H8N4O2/c1-10-4(6(8)12)3(2-9-10)5(7)11/h2H,1H3,(H2,7,11)(H2,8,12)
InChIKeyVHLDIMUILPVMGR-UHFFFAOYSA-N
XLogP-1.38
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 22374064
4-amino-1-methyl-1H-pyrazole-3-carboxamide
CID 6485351
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
Pyrazole-3,4-dicarboxamide, N,N',1-trimethyl-
CID 210532
Etipirol
CID 166751
1,3-dimethyl-1H-pyrazole-4-carbohydrazide
CID 4188482
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
Pyrazole-3,4-dicarboxamide, 1-allyl-N,N'-dimethyl-
CID 202601
1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
CID 6401375
5-carbamoyl-1-methyl-1H-pyrazole-4-carboxylic acid
CID 19623310

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazole-4,5-dicarboxamide?
The IUPAC name of 1-methylpyrazole-4,5-dicarboxamide (CID 71779722) is 1-methylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 1-methylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 1-methylpyrazole-4,5-dicarboxamide is Cn1ncc(C(N)=O)c1C(N)=O.
What is the InChIKey of 1-methylpyrazole-4,5-dicarboxamide?
The InChIKey is VHLDIMUILPVMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-10-4(6(8)12)3(2-9-10)5(7)11/h2H,1H3,(H2,7,11)(H2,8,12).
What are the key properties of 1-methylpyrazole-4,5-dicarboxamide?
1-methylpyrazole-4,5-dicarboxamide has a molecular weight of 168.16 g/mol, XLogP of -1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 71779722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).