1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea

C9H16N4O — CID 104620385

IUPAC1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea
SMILESCCc1cc(NC(=O)N(C)CC)n[nH]1
InChIInChI=1S/C9H16N4O/c1-4-7-6-8(12-11-7)10-9(14)13(3)5-2/h6H,4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyGLZSPZNHJLUPRE-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.46
Rot. Bonds3

About 1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea

1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea (PubChem CID 104620385) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea
PubChem CID104620385
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea
SMILESCCc1cc(NC(=O)N(C)CC)n[nH]1
InChIInChI=1S/C9H16N4O/c1-4-7-6-8(12-11-7)10-9(14)13(3)5-2/h6H,4-5H2,1-3H3,(H2,10,11,12,14)
InChIKeyGLZSPZNHJLUPRE-UHFFFAOYSA-N
XLogP1.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
4-(dimethylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423237
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylpentanamide
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(2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
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2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 104617294
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 115593810
N-(5-ethyl-1H-pyrazol-3-yl)cyclopent-3-ene-1-carboxamide
CID 115644958
N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
CID 47423483
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-methoxyethoxy)acetamide
CID 104619698
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)pentanamide
CID 104617963
2-tert-butylsulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 115593811

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea?
The IUPAC name of 1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea (CID 104620385) is 1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea.
What is the SMILES notation for 1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea?
The canonical SMILES for 1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea is CCc1cc(NC(=O)N(C)CC)n[nH]1.
What is the InChIKey of 1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea?
The InChIKey is GLZSPZNHJLUPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-7-6-8(12-11-7)10-9(14)13(3)5-2/h6H,4-5H2,1-3H3,(H2,10,11,12,14).
What are the key properties of 1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea?
1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea has a molecular weight of 196.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea is sourced from PubChem (CID 104620385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).