4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide

C9H14N4O2 — CID 69378672

IUPAC4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(=O)Nc1cn[nH]c1C(=O)NC(C)C
InChIInChI=1S/C9H14N4O2/c1-5(2)11-9(15)8-7(4-10-13-8)12-6(3)14/h4-5H,1-3H3,(H,10,13)(H,11,15)(H,12,14)
InChIKeyHSFBAXHZRVEEOI-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.51
Rot. Bonds3

About 4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide

4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 69378672) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID69378672
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(=O)Nc1cn[nH]c1C(=O)NC(C)C
InChIInChI=1S/C9H14N4O2/c1-5(2)11-9(15)8-7(4-10-13-8)12-6(3)14/h4-5H,1-3H3,(H,10,13)(H,11,15)(H,12,14)
InChIKeyHSFBAXHZRVEEOI-UHFFFAOYSA-N
XLogP0.51
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 69378672) is 4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide is CC(=O)Nc1cn[nH]c1C(=O)NC(C)C.
What is the InChIKey of 4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is HSFBAXHZRVEEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5(2)11-9(15)8-7(4-10-13-8)12-6(3)14/h4-5H,1-3H3,(H,10,13)(H,11,15)(H,12,14).
What are the key properties of 4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide?
4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 210.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69378672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).