1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea

C15H20N4O2 — CID 111107558

IUPAC1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
SMILESCCC(CO)NC(=O)Nc1nn(-c2ccccc2)cc1C
InChIInChI=1S/C15H20N4O2/c1-3-12(10-20)16-15(21)17-14-11(2)9-19(18-14)13-7-5-4-6-8-13/h4-9,12,20H,3,10H2,1-2H3,(H2,16,17,18,21)
InChIKeyBRIHLLLLLZXJLK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.07
Rot. Bonds5

About 1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea

1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea (PubChem CID 111107558) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
PubChem CID111107558
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
SMILESCCC(CO)NC(=O)Nc1nn(-c2ccccc2)cc1C
InChIInChI=1S/C15H20N4O2/c1-3-12(10-20)16-15(21)17-14-11(2)9-19(18-14)13-7-5-4-6-8-13/h4-9,12,20H,3,10H2,1-2H3,(H2,16,17,18,21)
InChIKeyBRIHLLLLLZXJLK-UHFFFAOYSA-N
XLogP2.07
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea (CID 111107558) is 1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea is CCC(CO)NC(=O)Nc1nn(-c2ccccc2)cc1C.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea?
The InChIKey is BRIHLLLLLZXJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-12(10-20)16-15(21)17-14-11(2)9-19(18-14)13-7-5-4-6-8-13/h4-9,12,20H,3,10H2,1-2H3,(H2,16,17,18,21).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea?
1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea has a molecular weight of 288.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 111107558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).