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

C13H24N4O2 — CID 111618216

IUPAC1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)C(O)CCNC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C13H24N4O2/c1-9(2)12(18)5-6-14-13(19)16-11-7-15-17(8-11)10(3)4/h7-10,12,18H,5-6H2,1-4H3,(H2,14,16,19)
InChIKeyFACRIUBXLZTCBS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.99
Rot. Bonds6

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

1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 111618216) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID111618216
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)C(O)CCNC(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C13H24N4O2/c1-9(2)12(18)5-6-14-13(19)16-11-7-15-17(8-11)10(3)4/h7-10,12,18H,5-6H2,1-4H3,(H2,14,16,19)
InChIKeyFACRIUBXLZTCBS-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-(4-hydroxy-2,2-dimethylbutyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618197
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62904261
1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 75484975
1-(1-propan-2-ylpyrazol-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 74235563
3,3-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62904639
1-(3-hydroxy-4-methylpentyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 111505196
(2S)-2-hydroxy-4-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 107838447
1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 118784257
2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904611
5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62903409

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 111618216) is 1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea is CC(C)C(O)CCNC(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is FACRIUBXLZTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9(2)12(18)5-6-14-13(19)16-11-7-15-17(8-11)10(3)4/h7-10,12,18H,5-6H2,1-4H3,(H2,14,16,19).
What are the key properties of 1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-(3-hydroxy-4-methylpentyl)-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-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 111618216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).