1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea

C19H26N4O2 — CID 99828767

IUPAC1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea
SMILESCC(C)n1nc(-c2ccccc2)cc1NC(=O)NC[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C19H26N4O2/c1-13(2)23-18(11-17(22-23)15-6-4-3-5-7-15)21-19(25)20-12-14-8-9-16(24)10-14/h3-7,11,13-14,16,24H,8-10,12H2,1-2H3,(H2,20,21,25)/t14-,16+/m1/s1
InChIKeyWMCRJOLFISZTEO-ZBFHGGJFSA-N
MW342.44 g/mol
LogP3.41
Rot. Bonds5

About 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea

1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea (PubChem CID 99828767) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea
PubChem CID99828767
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea
SMILESCC(C)n1nc(-c2ccccc2)cc1NC(=O)NC[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C19H26N4O2/c1-13(2)23-18(11-17(22-23)15-6-4-3-5-7-15)21-19(25)20-12-14-8-9-16(24)10-14/h3-7,11,13-14,16,24H,8-10,12H2,1-2H3,(H2,20,21,25)/t14-,16+/m1/s1
InChIKeyWMCRJOLFISZTEO-ZBFHGGJFSA-N
XLogP3.41
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea?
The IUPAC name of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea (CID 99828767) is 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea.
What is the SMILES notation for 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea?
The canonical SMILES for 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea is CC(C)n1nc(-c2ccccc2)cc1NC(=O)NC[C@@H]1CC[C@H](O)C1.
What is the InChIKey of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea?
The InChIKey is WMCRJOLFISZTEO-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)23-18(11-17(22-23)15-6-4-3-5-7-15)21-19(25)20-12-14-8-9-16(24)10-14/h3-7,11,13-14,16,24H,8-10,12H2,1-2H3,(H2,20,21,25)/t14-,16+/m1/s1.
What are the key properties of 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea?
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea has a molecular weight of 342.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea is sourced from PubChem (CID 99828767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).