1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide

C7H10N4O2 — CID 130605298

IUPAC1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide
SMILESCNC(=O)Cn1cc(C(N)=O)cn1
InChIInChI=1S/C7H10N4O2/c1-9-6(12)4-11-3-5(2-10-11)7(8)13/h2-3H,4H2,1H3,(H2,8,13)(H,9,12)
InChIKeyZNTCYEKFNJYTFJ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.27
Rot. Bonds3

About 1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide

1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide (PubChem CID 130605298) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide
PubChem CID130605298
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide
SMILESCNC(=O)Cn1cc(C(N)=O)cn1
InChIInChI=1S/C7H10N4O2/c1-9-6(12)4-11-3-5(2-10-11)7(8)13/h2-3H,4H2,1H3,(H2,8,13)(H,9,12)
InChIKeyZNTCYEKFNJYTFJ-UHFFFAOYSA-N
XLogP-1.27
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide (CID 130605298) is 1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide is CNC(=O)Cn1cc(C(N)=O)cn1.
What is the InChIKey of 1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide?
The InChIKey is ZNTCYEKFNJYTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-9-6(12)4-11-3-5(2-10-11)7(8)13/h2-3H,4H2,1H3,(H2,8,13)(H,9,12).
What are the key properties of 1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide?
1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide has a molecular weight of 182.18 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 130605298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).