1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea

C13H24N4O — CID 108813745

IUPAC1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCn1nccc1NC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-12(2,3)9-13(4,5)16-11(18)15-10-7-8-14-17(10)6/h7-8H,9H2,1-6H3,(H2,15,16,18)
InChIKeyWZCJMIVTTOQTEJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.76
Rot. Bonds3

About 1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea

1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea (PubChem CID 108813745) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
PubChem CID108813745
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCn1nccc1NC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-12(2,3)9-13(4,5)16-11(18)15-10-7-8-14-17(10)6/h7-8H,9H2,1-6H3,(H2,15,16,18)
InChIKeyWZCJMIVTTOQTEJ-UHFFFAOYSA-N
XLogP2.76
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-N-(2-methylpyrazol-3-yl)propanamide
CID 103429823
1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
CID 130637088
2-(tert-butylamino)-N-(2-methylpyrazol-3-yl)acetamide
CID 78923711
2,2-dimethyl-3-[(2-methylpyrazol-3-yl)amino]-3-oxopropanoic acid
CID 82820721
1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813713
1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108868503
1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea
CID 108813684
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693
2-methoxy-N-(2-methylpyrazol-3-yl)acetamide
CID 110470519
2-amino-2-methyl-N-(2-methylpyrazol-3-yl)pentanamide;hydrochloride
CID 119708073
1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813825
methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate
CID 112617047

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea (CID 108813745) is 1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea is Cn1nccc1NC(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The InChIKey is WZCJMIVTTOQTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-12(2,3)9-13(4,5)16-11(18)15-10-7-8-14-17(10)6/h7-8H,9H2,1-6H3,(H2,15,16,18).
What are the key properties of 1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea has a molecular weight of 252.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-3-(2,4,4-trimethylpentan-2-yl)urea is sourced from PubChem (CID 108813745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).