1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea

C17H22N4O2 — CID 110017219

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)NCC2(O)CCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O2/c1-21-11-14(15(20-21)13-7-3-2-4-8-13)19-16(22)18-12-17(23)9-5-6-10-17/h2-4,7-8,11,23H,5-6,9-10,12H2,1H3,(H2,18,19,22)
InChIKeyDTADQPXNTKCSNC-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.51
Rot. Bonds4

About 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea

1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea (PubChem CID 110017219) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
PubChem CID110017219
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)NCC2(O)CCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O2/c1-21-11-14(15(20-21)13-7-3-2-4-8-13)19-16(22)18-12-17(23)9-5-6-10-17/h2-4,7-8,11,23H,5-6,9-10,12H2,1H3,(H2,18,19,22)
InChIKeyDTADQPXNTKCSNC-UHFFFAOYSA-N
XLogP2.51
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyl-3-phenylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 97256526
1-[2-(2-hydroxyethyl)pentyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017229
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 110907910
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017230
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide
CID 166332599
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111104199
N-[(1-hydroxycyclopentyl)methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 111333121
1-(1-benzylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521199
1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103751
1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103409

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea (CID 110017219) is 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea is Cn1cc(NC(=O)NCC2(O)CCCC2)c(-c2ccccc2)n1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea?
The InChIKey is DTADQPXNTKCSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21-11-14(15(20-21)13-7-3-2-4-8-13)19-16(22)18-12-17(23)9-5-6-10-17/h2-4,7-8,11,23H,5-6,9-10,12H2,1H3,(H2,18,19,22).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea?
1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea has a molecular weight of 314.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 110017219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).