1-(2-ethylpyrazol-3-yl)-3-phenylurea

C12H14N4O — CID 13370097

IUPAC1-(2-ethylpyrazol-3-yl)-3-phenylurea
SMILESCCn1nccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C12H14N4O/c1-2-16-11(8-9-13-16)15-12(17)14-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,14,15,17)
InChIKeyVXCPRNLPDPYSLT-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.55
Rot. Bonds3

About 1-(2-ethylpyrazol-3-yl)-3-phenylurea

1-(2-ethylpyrazol-3-yl)-3-phenylurea (PubChem CID 13370097) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-3-phenylurea
PubChem CID13370097
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(2-ethylpyrazol-3-yl)-3-phenylurea
SMILESCCn1nccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C12H14N4O/c1-2-16-11(8-9-13-16)15-12(17)14-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,14,15,17)
InChIKeyVXCPRNLPDPYSLT-UHFFFAOYSA-N
XLogP2.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenylpyrazol-5-ylamine
CID 70006
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
1-phenyl-1H-pyrazol-3-amine
CID 594320
1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(1-Phenyl-1H-pyrazol-3-yl)acetamide
CID 594242
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
1-(3-Bromophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808860
N-(1-methyl-1H-pyrazol-5-yl)-N'-(3-nitrophenyl)urea
CID 2808865
N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-2-(diethylamino)acetamide
CID 2816486
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-phenylurea
CID 2818791

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-3-phenylurea?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-3-phenylurea (CID 13370097) is 1-(2-ethylpyrazol-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-3-phenylurea?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-3-phenylurea is CCn1nccc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-3-phenylurea?
The InChIKey is VXCPRNLPDPYSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-16-11(8-9-13-16)15-12(17)14-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,14,15,17).
What are the key properties of 1-(2-ethylpyrazol-3-yl)-3-phenylurea?
1-(2-ethylpyrazol-3-yl)-3-phenylurea has a molecular weight of 230.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-3-phenylurea is sourced from PubChem (CID 13370097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).