2-(1H-pyrazol-4-ylcarbamoylamino)acetamide

C6H9N5O2 — CID 130682682

IUPAC2-(1H-pyrazol-4-ylcarbamoylamino)acetamide
SMILESNC(=O)CNC(=O)Nc1cn[nH]c1
InChIInChI=1S/C6H9N5O2/c7-5(12)3-8-6(13)11-4-1-9-10-2-4/h1-2H,3H2,(H2,7,12)(H,9,10)(H2,8,11,13)
InChIKeyINGBUNJNAAHRFI-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.98
Rot. Bonds3

About 2-(1H-pyrazol-4-ylcarbamoylamino)acetamide

2-(1H-pyrazol-4-ylcarbamoylamino)acetamide (PubChem CID 130682682) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-ylcarbamoylamino)acetamide.

Molecular Properties

Compound Name2-(1H-pyrazol-4-ylcarbamoylamino)acetamide
PubChem CID130682682
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name2-(1H-pyrazol-4-ylcarbamoylamino)acetamide
SMILESNC(=O)CNC(=O)Nc1cn[nH]c1
InChIInChI=1S/C6H9N5O2/c7-5(12)3-8-6(13)11-4-1-9-10-2-4/h1-2H,3H2,(H2,7,12)(H,9,10)(H2,8,11,13)
InChIKeyINGBUNJNAAHRFI-UHFFFAOYSA-N
XLogP-0.98
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
CID 130991878
2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62671333
2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62877454
6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid
CID 61209750
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47248492
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid
CID 43540349
1-[(4-methylsulfonylphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47252542
1-[(5-bromothiophen-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47253712

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-ylcarbamoylamino)acetamide?
The IUPAC name of 2-(1H-pyrazol-4-ylcarbamoylamino)acetamide (CID 130682682) is 2-(1H-pyrazol-4-ylcarbamoylamino)acetamide.
What is the SMILES notation for 2-(1H-pyrazol-4-ylcarbamoylamino)acetamide?
The canonical SMILES for 2-(1H-pyrazol-4-ylcarbamoylamino)acetamide is NC(=O)CNC(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-(1H-pyrazol-4-ylcarbamoylamino)acetamide?
The InChIKey is INGBUNJNAAHRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c7-5(12)3-8-6(13)11-4-1-9-10-2-4/h1-2H,3H2,(H2,7,12)(H,9,10)(H2,8,11,13).
What are the key properties of 2-(1H-pyrazol-4-ylcarbamoylamino)acetamide?
2-(1H-pyrazol-4-ylcarbamoylamino)acetamide has a molecular weight of 183.17 g/mol, XLogP of -0.98, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-ylcarbamoylamino)acetamide is sourced from PubChem (CID 130682682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).