1-phenyl-3-(2-pyrazol-1-ylethyl)urea

C12H14N4O — CID 110747699

IUPAC1-phenyl-3-(2-pyrazol-1-ylethyl)urea
SMILESO=C(NCCn1cccn1)Nc1ccccc1
InChIInChI=1S/C12H14N4O/c17-12(15-11-5-2-1-3-6-11)13-8-10-16-9-4-7-14-16/h1-7,9H,8,10H2,(H2,13,15,17)
InChIKeyHTKMTKBKJIDKSY-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.70
Rot. Bonds4

About 1-phenyl-3-(2-pyrazol-1-ylethyl)urea

1-phenyl-3-(2-pyrazol-1-ylethyl)urea (PubChem CID 110747699) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-phenyl-3-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2-pyrazol-1-ylethyl)urea
PubChem CID110747699
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-phenyl-3-(2-pyrazol-1-ylethyl)urea
SMILESO=C(NCCn1cccn1)Nc1ccccc1
InChIInChI=1S/C12H14N4O/c17-12(15-11-5-2-1-3-6-11)13-8-10-16-9-4-7-14-16/h1-7,9H,8,10H2,(H2,13,15,17)
InChIKeyHTKMTKBKJIDKSY-UHFFFAOYSA-N
XLogP1.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 65345773
2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62535953
1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea
CID 61461497
1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea
CID 19589685
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99599215
3-methyl-2-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461235
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99623557
4-fluoro-3-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461761
5-bromo-2-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 62073502

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-phenyl-3-(2-pyrazol-1-ylethyl)urea (CID 110747699) is 1-phenyl-3-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-phenyl-3-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-phenyl-3-(2-pyrazol-1-ylethyl)urea is O=C(NCCn1cccn1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(2-pyrazol-1-ylethyl)urea?
The InChIKey is HTKMTKBKJIDKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12(15-11-5-2-1-3-6-11)13-8-10-16-9-4-7-14-16/h1-7,9H,8,10H2,(H2,13,15,17).
What are the key properties of 1-phenyl-3-(2-pyrazol-1-ylethyl)urea?
1-phenyl-3-(2-pyrazol-1-ylethyl)urea has a molecular weight of 230.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 110747699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).