1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea

C9H14N4O — CID 115581841

IUPAC1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2CC2)n(C)n1
InChIInChI=1S/C9H14N4O/c1-6-5-8(13(2)12-6)11-9(14)10-7-3-4-7/h5,7H,3-4H2,1-2H3,(H2,10,11,14)
InChIKeyJFPHMTDEFLCYNK-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.01
Rot. Bonds2

About 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea

1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea (PubChem CID 115581841) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
PubChem CID115581841
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2CC2)n(C)n1
InChIInChI=1S/C9H14N4O/c1-6-5-8(13(2)12-6)11-9(14)10-7-3-4-7/h5,7H,3-4H2,1-2H3,(H2,10,11,14)
InChIKeyJFPHMTDEFLCYNK-UHFFFAOYSA-N
XLogP1.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
CID 47200898
1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079357
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839
N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-3-(methylcarbamoylamino)pyrrolidin-1-yl]acetamide
CID 99784815
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea
CID 47198130
2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide
CID 47093320
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide
CID 130679371
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea (CID 115581841) is 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)NC2CC2)n(C)n1.
What is the InChIKey of 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea?
The InChIKey is JFPHMTDEFLCYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-5-8(13(2)12-6)11-9(14)10-7-3-4-7/h5,7H,3-4H2,1-2H3,(H2,10,11,14).
What are the key properties of 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea?
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea has a molecular weight of 194.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 115581841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).