1-(2,5-dimethylpyrazol-3-yl)-3-propylurea

C9H16N4O — CID 115581840

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C9H16N4O/c1-4-5-10-9(14)11-8-6-7(2)12-13(8)3/h6H,4-5H2,1-3H3,(H2,10,11,14)
InChIKeyJPCFOSLSBSPIIV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.26
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-3-propylurea

1-(2,5-dimethylpyrazol-3-yl)-3-propylurea (PubChem CID 115581840) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-propylurea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
PubChem CID115581840
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C9H16N4O/c1-4-5-10-9(14)11-8-6-7(2)12-13(8)3/h6H,4-5H2,1-3H3,(H2,10,11,14)
InChIKeyJPCFOSLSBSPIIV-UHFFFAOYSA-N
XLogP1.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide
CID 47093320
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839
1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylbutyl)urea
CID 51080232
1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea
CID 94078524
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-[(5-chlorothiophen-2-yl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47198144
N-(2,5-dimethylpyrazol-3-yl)-2-ethoxypropanamide
CID 60555284
N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 62166973
1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-hydroxy-4-methoxy-2-methylbutyl]urea
CID 97068353
1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea
CID 47198130
N-(2,5-dimethylpyrazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374315

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-propylurea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-propylurea (CID 115581840) is 1-(2,5-dimethylpyrazol-3-yl)-3-propylurea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-propylurea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-propylurea is CCCNC(=O)Nc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-propylurea?
The InChIKey is JPCFOSLSBSPIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-5-10-9(14)11-8-6-7(2)12-13(8)3/h6H,4-5H2,1-3H3,(H2,10,11,14).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-propylurea?
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea has a molecular weight of 196.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-propylurea is sourced from PubChem (CID 115581840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).