1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea

C19H26N4O2 — CID 98874250

IUPAC1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea
SMILESCN(C[C@@H]1CCC[C@H]1O)C(=O)N[C@H](Cn1cccn1)c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-22(13-16-9-5-10-18(16)24)19(25)21-17(14-23-12-6-11-20-23)15-7-3-2-4-8-15/h2-4,6-8,11-12,16-18,24H,5,9-10,13-14H2,1H3,(H,21,25)/t16-,17+,18+/m0/s1
InChIKeyFXXNFOBIODXONJ-RCCFBDPRSA-N
MW342.44 g/mol
LogP2.43
Rot. Bonds6

About 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea

1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea (PubChem CID 98874250) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea.

Molecular Properties

Compound Name1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea
PubChem CID98874250
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea
SMILESCN(C[C@@H]1CCC[C@H]1O)C(=O)N[C@H](Cn1cccn1)c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-22(13-16-9-5-10-18(16)24)19(25)21-17(14-23-12-6-11-20-23)15-7-3-2-4-8-15/h2-4,6-8,11-12,16-18,24H,5,9-10,13-14H2,1H3,(H,21,25)/t16-,17+,18+/m0/s1
InChIKeyFXXNFOBIODXONJ-RCCFBDPRSA-N
XLogP2.43
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea?
The IUPAC name of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea (CID 98874250) is 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea.
What is the SMILES notation for 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea?
The canonical SMILES for 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea is CN(C[C@@H]1CCC[C@H]1O)C(=O)N[C@H](Cn1cccn1)c1ccccc1.
What is the InChIKey of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea?
The InChIKey is FXXNFOBIODXONJ-RCCFBDPRSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(13-16-9-5-10-18(16)24)19(25)21-17(14-23-12-6-11-20-23)15-7-3-2-4-8-15/h2-4,6-8,11-12,16-18,24H,5,9-10,13-14H2,1H3,(H,21,25)/t16-,17+,18+/m0/s1.
What are the key properties of 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea?
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea is sourced from PubChem (CID 98874250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).