1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea

C17H31N5O2 — CID 111458023

IUPAC1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCC(C)CN1CCC(NC(=O)NCC(C)(O)c2cnn(C)c2)CC1
InChIInChI=1S/C17H31N5O2/c1-13(2)10-22-7-5-15(6-8-22)20-16(23)18-12-17(3,24)14-9-19-21(4)11-14/h9,11,13,15,24H,5-8,10,12H2,1-4H3,(H2,18,20,23)
InChIKeyFRYYFQBANBBWMB-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.05
Rot. Bonds6

About 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea

1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea (PubChem CID 111458023) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
PubChem CID111458023
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCC(C)CN1CCC(NC(=O)NCC(C)(O)c2cnn(C)c2)CC1
InChIInChI=1S/C17H31N5O2/c1-13(2)10-22-7-5-15(6-8-22)20-16(23)18-12-17(3,24)14-9-19-21(4)11-14/h9,11,13,15,24H,5-8,10,12H2,1-4H3,(H2,18,20,23)
InChIKeyFRYYFQBANBBWMB-UHFFFAOYSA-N
XLogP1.05
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111482946
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111481813
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111440902
1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 71972715
1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458111
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 111459095
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-prop-2-ynylurea
CID 111457956
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 111458030
1-[(1-ethylpiperidin-3-yl)methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111459092
2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458347

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The IUPAC name of 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea (CID 111458023) is 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea is CC(C)CN1CCC(NC(=O)NCC(C)(O)c2cnn(C)c2)CC1.
What is the InChIKey of 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The InChIKey is FRYYFQBANBBWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-13(2)10-22-7-5-15(6-8-22)20-16(23)18-12-17(3,24)14-9-19-21(4)11-14/h9,11,13,15,24H,5-8,10,12H2,1-4H3,(H2,18,20,23).
What are the key properties of 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea has a molecular weight of 337.47 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea is sourced from PubChem (CID 111458023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).