1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

C14H18N4O2 — CID 108813031

IUPAC1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCn1nc(NC(=O)NCCCO)cc1-c1ccccc1
InChIInChI=1S/C14H18N4O2/c1-18-12(11-6-3-2-4-7-11)10-13(17-18)16-14(20)15-8-5-9-19/h2-4,6-7,10,19H,5,8-9H2,1H3,(H2,15,16,17,20)
InChIKeyUSMCJXXDWGRULY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.59
Rot. Bonds5

About 1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (PubChem CID 108813031) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
PubChem CID108813031
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCn1nc(NC(=O)NCCCO)cc1-c1ccccc1
InChIInChI=1S/C14H18N4O2/c1-18-12(11-6-3-2-4-7-11)10-13(17-18)16-14(20)15-8-5-9-19/h2-4,6-7,10,19H,5,8-9H2,1H3,(H2,15,16,17,20)
InChIKeyUSMCJXXDWGRULY-UHFFFAOYSA-N
XLogP1.59
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]hexanoic acid
CID 108812931
1-(2-cyanoethyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813212
1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813193
1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813006
4-[[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108813013
1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813110
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
ethyl 4-[[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]methyl]benzoate
CID 108813178
1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108812972
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813151
1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813156
1-(1-methyl-5-phenylpyrazol-3-yl)-3-(2-nitrophenyl)urea
CID 108812854

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (CID 108813031) is 1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is Cn1nc(NC(=O)NCCCO)cc1-c1ccccc1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The InChIKey is USMCJXXDWGRULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18-12(11-6-3-2-4-7-11)10-13(17-18)16-14(20)15-8-5-9-19/h2-4,6-7,10,19H,5,8-9H2,1H3,(H2,15,16,17,20).
What are the key properties of 1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea has a molecular weight of 274.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 108813031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).