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

C13H24N4O2 — CID 111926711

IUPAC1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCCCC(C)(CO)NC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C13H24N4O2/c1-5-6-13(4,9-18)16-12(19)15-11-7-14-17(8-11)10(2)3/h7-8,10,18H,5-6,9H2,1-4H3,(H2,15,16,19)
InChIKeyOLKMMAGNGTVLHS-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.14
Rot. Bonds6

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

1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 111926711) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID111926711
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCCCC(C)(CO)NC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C13H24N4O2/c1-5-6-13(4,9-18)16-12(19)15-11-7-14-17(8-11)10(2)3/h7-8,10,18H,5-6,9H2,1-4H3,(H2,15,16,19)
InChIKeyOLKMMAGNGTVLHS-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618197
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754119
3,3-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62904639
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 110010595
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
(2S,3S)-3-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62902522
2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075
2-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]butan-1-ol
CID 81418743
1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618216

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 111926711) is 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea is CCCC(C)(CO)NC(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is OLKMMAGNGTVLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-6-13(4,9-18)16-12(19)15-11-7-14-17(8-11)10(2)3/h7-8,10,18H,5-6,9H2,1-4H3,(H2,15,16,19).
What are the key properties of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 268.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 111926711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).