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

C5H9N3O — CID 558088

IUPAC5-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(N)=O)CC1
InChIInChI=1S/C5H9N3O/c1-4-2-3-8(7-4)5(6)9/h2-3H2,1H3,(H2,6,9)
InChIKeySYZYUMSYOMEDCS-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.15
Rot. Bonds

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

5-methyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 558088) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-methyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID558088
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(N)=O)CC1
InChIInChI=1S/C5H9N3O/c1-4-2-3-8(7-4)5(6)9/h2-3H2,1H3,(H2,6,9)
InChIKeySYZYUMSYOMEDCS-UHFFFAOYSA-N
XLogP0.15
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-methyl-3,4-dihydropyrazole-2-carboxamide (CID 558088) is 5-methyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-methyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-methyl-3,4-dihydropyrazole-2-carboxamide is CC1=NN(C(N)=O)CC1.
What is the InChIKey of 5-methyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is SYZYUMSYOMEDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-2-3-8(7-4)5(6)9/h2-3H2,1H3,(H2,6,9).
What are the key properties of 5-methyl-3,4-dihydropyrazole-2-carboxamide?
5-methyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 127.15 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 558088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).