N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide

C9H14N4O2 — CID 43533005

IUPACN-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C9H14N4O2/c1-6(2)13-8(14)5-10-9(15)7-3-11-12-4-7/h3-4,6H,5H2,1-2H3,(H,10,15)(H,11,12)(H,13,14)
InChIKeyJQFMLWOAXCIFLD-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.34
Rot. Bonds4

About N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide

N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 43533005) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID43533005
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C9H14N4O2/c1-6(2)13-8(14)5-10-9(15)7-3-11-12-4-7/h3-4,6H,5H2,1-2H3,(H,10,15)(H,11,12)(H,13,14)
InChIKeyJQFMLWOAXCIFLD-UHFFFAOYSA-N
XLogP-0.34
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide (CID 43533005) is N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide is CC(C)NC(=O)CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is JQFMLWOAXCIFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6(2)13-8(14)5-10-9(15)7-3-11-12-4-7/h3-4,6H,5H2,1-2H3,(H,10,15)(H,11,12)(H,13,14).
What are the key properties of N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide?
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43533005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).