1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea

C10H13N5O2 — CID 47267179

IUPAC1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCCn1cc(NC(=O)Nc2cc(C)on2)cn1
InChIInChI=1S/C10H13N5O2/c1-3-15-6-8(5-11-15)12-10(16)13-9-4-7(2)17-14-9/h4-6H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyNSQZDRHLIRNCFX-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.84
Rot. Bonds3

About 1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea

1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 47267179) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID47267179
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCCn1cc(NC(=O)Nc2cc(C)on2)cn1
InChIInChI=1S/C10H13N5O2/c1-3-15-6-8(5-11-15)12-10(16)13-9-4-7(2)17-14-9/h4-6H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyNSQZDRHLIRNCFX-UHFFFAOYSA-N
XLogP1.84
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-nitro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide
CID 844589
2-{4-nitro-1H-pyrazol-1-yl}-N-(5-methyl-3-isoxazolyl)acetamide
CID 1225672
N-(5-methyl-3-isoxazolyl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1257327
1-ethyl-4-nitro-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-3-carboxamide
CID 832089
1-ethyl-5-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-4-carboxamide
CID 844731
1-ethyl-4-nitro-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide
CID 841688
2-(4-Bromo-5-methyl-1H-pyrazol-1-YL)-N-(5-methyl-3-isoxazolyl)acetamide
CID 4770837
3-(4-Bromo-1H-pyrazol-1-YL)-2-methyl-N-(5-methyl-3-isoxazolyl)propanamide
CID 4775912
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-pyrazol-1-ylethylamino)propanamide
CID 53618576
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide
CID 53622023
N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 56780329
N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 56780395

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 47267179) is 1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea is CCn1cc(NC(=O)Nc2cc(C)on2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is NSQZDRHLIRNCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-15-6-8(5-11-15)12-10(16)13-9-4-7(2)17-14-9/h4-6H,3H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 235.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 47267179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).