1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea

C19H26N4O2 — CID 98874227

IUPAC1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
SMILESC[C@H](c1ccccc1)n1ccc(NC(=O)N(C)C[C@H]2CCC[C@H]2O)n1
InChIInChI=1S/C19H26N4O2/c1-14(15-7-4-3-5-8-15)23-12-11-18(21-23)20-19(25)22(2)13-16-9-6-10-17(16)24/h3-5,7-8,11-12,14,16-17,24H,6,9-10,13H2,1-2H3,(H,20,21,25)/t14-,16-,17-/m1/s1
InChIKeyQVRCZDKGVSVRGF-DJIMGWMZSA-N
MW342.44 g/mol
LogP3.12
Rot. Bonds5

About 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea

1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea (PubChem CID 98874227) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
PubChem CID98874227
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
SMILESC[C@H](c1ccccc1)n1ccc(NC(=O)N(C)C[C@H]2CCC[C@H]2O)n1
InChIInChI=1S/C19H26N4O2/c1-14(15-7-4-3-5-8-15)23-12-11-18(21-23)20-19(25)22(2)13-16-9-6-10-17(16)24/h3-5,7-8,11-12,14,16-17,24H,6,9-10,13H2,1-2H3,(H,20,21,25)/t14-,16-,17-/m1/s1
InChIKeyQVRCZDKGVSVRGF-DJIMGWMZSA-N
XLogP3.12
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea with MolForge

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Related Compounds

1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea
CID 98874250
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1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017230
2-(2-hydroxyphenyl)-N-[1-(1-phenylethyl)pyrazol-3-yl]acetamide
CID 71970163
3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide
CID 97225833
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
N-[2-oxo-2-[[1-(1-phenylethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-1-carboxamide
CID 146138024
4,4,4-trifluoro-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]butanamide
CID 97089043
1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea
CID 110012205
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396961
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[4-(triazol-1-yl)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea?
The IUPAC name of 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea (CID 98874227) is 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea is C[C@H](c1ccccc1)n1ccc(NC(=O)N(C)C[C@H]2CCC[C@H]2O)n1.
What is the InChIKey of 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea?
The InChIKey is QVRCZDKGVSVRGF-DJIMGWMZSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(15-7-4-3-5-8-15)23-12-11-18(21-23)20-19(25)22(2)13-16-9-6-10-17(16)24/h3-5,7-8,11-12,14,16-17,24H,6,9-10,13H2,1-2H3,(H,20,21,25)/t14-,16-,17-/m1/s1.
What are the key properties of 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea?
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[1-[(1R)-1-phenylethyl]pyrazol-3-yl]urea is sourced from PubChem (CID 98874227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).