1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea

C9H16N4O — CID 115581839

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
SMILESCc1cc(NC(=O)NC(C)C)n(C)n1
InChIInChI=1S/C9H16N4O/c1-6(2)10-9(14)11-8-5-7(3)12-13(8)4/h5-6H,1-4H3,(H2,10,11,14)
InChIKeyFRTMUPUCTHXEHQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.26
Rot. Bonds2

About 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea

1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea (PubChem CID 115581839) 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-propan-2-ylurea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
PubChem CID115581839
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
SMILESCc1cc(NC(=O)NC(C)C)n(C)n1
InChIInChI=1S/C9H16N4O/c1-6(2)10-9(14)11-8-5-7(3)12-13(8)4/h5-6H,1-4H3,(H2,10,11,14)
InChIKeyFRTMUPUCTHXEHQ-UHFFFAOYSA-N
XLogP1.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-hydroxypropanamide
CID 130679371
2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 43180348
1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 94129017
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide
CID 99598507
1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339833
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
4-amino-N-(2,5-dimethylpyrazol-3-yl)pentanamide;hydrochloride
CID 120558953
N-(2,5-dimethylpyrazol-3-yl)-2-ethoxypropanamide
CID 60555284
(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119680179

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea (CID 115581839) is 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea is Cc1cc(NC(=O)NC(C)C)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea?
The InChIKey is FRTMUPUCTHXEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)10-9(14)11-8-5-7(3)12-13(8)4/h5-6H,1-4H3,(H2,10,11,14).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea?
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea has a molecular weight of 196.25 g/mol, XLogP of 1.26, 2 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-propan-2-ylurea is sourced from PubChem (CID 115581839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).