1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea

C18H24N4O2 — CID 124777004

IUPAC1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@H]1CCCC[C@H]1O)c1ccccc1-n1cccn1
InChIInChI=1S/C18H24N4O2/c1-13(20-18(24)21-15-8-3-5-10-17(15)23)14-7-2-4-9-16(14)22-12-6-11-19-22/h2,4,6-7,9,11-13,15,17,23H,3,5,8,10H2,1H3,(H2,20,21,24)/t13-,15-,17+/m0/s1
InChIKeyGMZTUCJZDNLHOR-JLJPHGGASA-N
MW328.42 g/mol
LogP2.54
Rot. Bonds4

About 1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea

1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 124777004) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID124777004
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@H]1CCCC[C@H]1O)c1ccccc1-n1cccn1
InChIInChI=1S/C18H24N4O2/c1-13(20-18(24)21-15-8-3-5-10-17(15)23)14-7-2-4-9-16(14)22-12-6-11-19-22/h2,4,6-7,9,11-13,15,17,23H,3,5,8,10H2,1H3,(H2,20,21,24)/t13-,15-,17+/m0/s1
InChIKeyGMZTUCJZDNLHOR-JLJPHGGASA-N
XLogP2.54
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea with MolForge

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Related Compounds

1-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 129402976
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentanamine
CID 95132547
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077
N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119781688
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322482
3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119781657
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 166302824
(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 97089146
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 111107523
cis-(1S,3R)-2,2-dimethyl-3-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065752

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea (CID 124777004) is 1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea is C[C@H](NC(=O)N[C@H]1CCCC[C@H]1O)c1ccccc1-n1cccn1.
What is the InChIKey of 1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is GMZTUCJZDNLHOR-JLJPHGGASA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(20-18(24)21-15-8-3-5-10-17(15)23)14-7-2-4-9-16(14)22-12-6-11-19-22/h2,4,6-7,9,11-13,15,17,23H,3,5,8,10H2,1H3,(H2,20,21,24)/t13-,15-,17+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea?
1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 124777004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).