[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea

C8H13N5O2 — CID 66120179

IUPAC[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
SMILESCCc1cc(C(=O)NNC(N)=O)n(C)n1
InChIInChI=1S/C8H13N5O2/c1-3-5-4-6(13(2)12-5)7(14)10-11-8(9)15/h4H,3H2,1-2H3,(H,10,14)(H3,9,11,15)
InChIKeyVVHYBQHQKMZVBT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.70
Rot. Bonds2

About [(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea

[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea (PubChem CID 66120179) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is [(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea.

Molecular Properties

Compound Name[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
PubChem CID66120179
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
SMILESCCc1cc(C(=O)NNC(N)=O)n(C)n1
InChIInChI=1S/C8H13N5O2/c1-3-5-4-6(13(2)12-5)7(14)10-11-8(9)15/h4H,3H2,1-2H3,(H,10,14)(H3,9,11,15)
InChIKeyVVHYBQHQKMZVBT-UHFFFAOYSA-N
XLogP-0.70
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79193800
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid
CID 66121113
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
N-(2-aminocyclopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120357
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 77113214
3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide
CID 66120747
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 66121139
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347

Frequently Asked Questions

What is the IUPAC name of [(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea?
The IUPAC name of [(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea (CID 66120179) is [(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea.
What is the SMILES notation for [(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea?
The canonical SMILES for [(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea is CCc1cc(C(=O)NNC(N)=O)n(C)n1.
What is the InChIKey of [(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea?
The InChIKey is VVHYBQHQKMZVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-3-5-4-6(13(2)12-5)7(14)10-11-8(9)15/h4H,3H2,1-2H3,(H,10,14)(H3,9,11,15).
What are the key properties of [(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea?
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea has a molecular weight of 211.22 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea is sourced from PubChem (CID 66120179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).