1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea

C19H26N4O2 — CID 96566708

IUPAC1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea
SMILESO=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCCC[C@@H]1n1cccn1
InChIInChI=1S/C19H26N4O2/c24-14-16(13-15-7-2-1-3-8-15)21-19(25)22-17-9-4-5-10-18(17)23-12-6-11-20-23/h1-3,6-8,11-12,16-18,24H,4-5,9-10,13-14H2,(H2,21,22,25)/t16-,17-,18-/m0/s1
InChIKeyFBKNVTVOKDQUEP-BZSNNMDCSA-N
MW342.44 g/mol
LogP2.27
Rot. Bonds6

About 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea (PubChem CID 96566708) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea
PubChem CID96566708
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea
SMILESO=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCCC[C@@H]1n1cccn1
InChIInChI=1S/C19H26N4O2/c24-14-16(13-15-7-2-1-3-8-15)21-19(25)22-17-9-4-5-10-18(17)23-12-6-11-20-23/h1-3,6-8,11-12,16-18,24H,4-5,9-10,13-14H2,(H2,21,22,25)/t16-,17-,18-/m0/s1
InChIKeyFBKNVTVOKDQUEP-BZSNNMDCSA-N
XLogP2.27
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566707
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea
CID 95968425
1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111508924
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
(2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide
CID 124850298
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 129435365
1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 110900882
1-(3-acetylphenyl)-3-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]urea
CID 124504703
2-(cyclopentylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107860961
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 91661830
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
CID 97261191

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea?
The IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea (CID 96566708) is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea.
What is the SMILES notation for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea?
The canonical SMILES for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea is O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1CCCC[C@@H]1n1cccn1.
What is the InChIKey of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea?
The InChIKey is FBKNVTVOKDQUEP-BZSNNMDCSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-14-16(13-15-7-2-1-3-8-15)21-19(25)22-17-9-4-5-10-18(17)23-12-6-11-20-23/h1-3,6-8,11-12,16-18,24H,4-5,9-10,13-14H2,(H2,21,22,25)/t16-,17-,18-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea?
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea is sourced from PubChem (CID 96566708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).