1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea

C13H24N4O2 — CID 111618197

IUPAC1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NCC(C)(C)CCO)cn1
InChIInChI=1S/C13H24N4O2/c1-10(2)17-8-11(7-15-17)16-12(19)14-9-13(3,4)5-6-18/h7-8,10,18H,5-6,9H2,1-4H3,(H2,14,16,19)
InChIKeyVVZMKOLXOJYRGI-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.99
Rot. Bonds6

About 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea

1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 111618197) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID111618197
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NCC(C)(C)CCO)cn1
InChIInChI=1S/C13H24N4O2/c1-10(2)17-8-11(7-15-17)16-12(19)14-9-13(3,4)5-6-18/h7-8,10,18H,5-6,9H2,1-4H3,(H2,14,16,19)
InChIKeyVVZMKOLXOJYRGI-UHFFFAOYSA-N
XLogP1.99
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-hydroxy-4,4-dimethylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618223
1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111926711
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618216
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
3,3-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62904639
1-(4-cyanophenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 103710020
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111578737
1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 118784257
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 110010595
5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62903409

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 111618197) is 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea is CC(C)n1cc(NC(=O)NCC(C)(C)CCO)cn1.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is VVZMKOLXOJYRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(2)17-8-11(7-15-17)16-12(19)14-9-13(3,4)5-6-18/h7-8,10,18H,5-6,9H2,1-4H3,(H2,14,16,19).
What are the key properties of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 268.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 111618197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).