1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea

C14H26N4O — CID 60546682

IUPAC1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
SMILESCc1cc(C)n(CC(C)NC(=O)NC(C)C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-9(2)13(6)16-14(19)15-11(4)8-18-12(5)7-10(3)17-18/h7,9,11,13H,8H2,1-6H3,(H2,15,16,19)
InChIKeyYAVAELPTHXJNGX-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.23
Rot. Bonds5

About 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea

1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea (PubChem CID 60546682) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
PubChem CID60546682
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
SMILESCc1cc(C)n(CC(C)NC(=O)NC(C)C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-9(2)13(6)16-14(19)15-11(4)8-18-12(5)7-10(3)17-18/h7,9,11,13H,8H2,1-6H3,(H2,15,16,19)
InChIKeyYAVAELPTHXJNGX-UHFFFAOYSA-N
XLogP2.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea?
The IUPAC name of 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea (CID 60546682) is 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea?
The canonical SMILES for 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea is Cc1cc(C)n(CC(C)NC(=O)NC(C)C(C)C)n1.
What is the InChIKey of 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea?
The InChIKey is YAVAELPTHXJNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-9(2)13(6)16-14(19)15-11(4)8-18-12(5)7-10(3)17-18/h7,9,11,13H,8H2,1-6H3,(H2,15,16,19).
What are the key properties of 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea?
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea has a molecular weight of 266.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea is sourced from PubChem (CID 60546682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).