1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea

C13H24N4O2 — CID 111453629

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
SMILESCCc1cc(NC(=O)NCC(O)CC(C)C)n(C)n1
InChIInChI=1S/C13H24N4O2/c1-5-10-7-12(17(4)16-10)15-13(19)14-8-11(18)6-9(2)3/h7,9,11,18H,5-6,8H2,1-4H3,(H2,14,15,19)
InChIKeyGMZHPQCIJBERBV-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.51
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea

1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea (PubChem CID 111453629) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
PubChem CID111453629
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
SMILESCCc1cc(NC(=O)NCC(O)CC(C)C)n(C)n1
InChIInChI=1S/C13H24N4O2/c1-5-10-7-12(17(4)16-10)15-13(19)14-8-11(18)6-9(2)3/h7,9,11,18H,5-6,8H2,1-4H3,(H2,14,15,19)
InChIKeyGMZHPQCIJBERBV-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
CID 111453634
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
CID 111422828
1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431114
1-[(5-bromopyrazin-2-yl)methyl]-3-(3-ethyl-1-methylpyrazol-5-yl)urea
CID 126820728
1-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]urea
CID 95320653
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[1-(oxan-4-yl)ethyl]urea
CID 138043768
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111475349
1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 95977557
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea
CID 111859269
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea (CID 111453629) is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea is CCc1cc(NC(=O)NCC(O)CC(C)C)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea?
The InChIKey is GMZHPQCIJBERBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-10-7-12(17(4)16-10)15-13(19)14-8-11(18)6-9(2)3/h7,9,11,18H,5-6,8H2,1-4H3,(H2,14,15,19).
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea?
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea has a molecular weight of 268.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 111453629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).