1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea

C18H24N4O2 — CID 125140861

IUPAC1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea
SMILESCc1ccc(-c2ccnn2C)cc1NC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C18H24N4O2/c1-12-7-8-13(16-9-10-19-22(16)2)11-15(12)21-18(24)20-14-5-3-4-6-17(14)23/h7-11,14,17,23H,3-6H2,1-2H3,(H2,20,21,24)/t14-,17-/m1/s1
InChIKeyOIJASSVYPPOHBA-RHSMWYFYSA-N
MW328.42 g/mol
LogP2.82
Rot. Bonds3

About 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea

1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea (PubChem CID 125140861) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea
PubChem CID125140861
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea
SMILESCc1ccc(-c2ccnn2C)cc1NC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C18H24N4O2/c1-12-7-8-13(16-9-10-19-22(16)2)11-15(12)21-18(24)20-14-5-3-4-6-17(14)23/h7-11,14,17,23H,3-6H2,1-2H3,(H2,20,21,24)/t14-,17-/m1/s1
InChIKeyOIJASSVYPPOHBA-RHSMWYFYSA-N
XLogP2.82
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea?
The IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea (CID 125140861) is 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea is Cc1ccc(-c2ccnn2C)cc1NC(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea?
The InChIKey is OIJASSVYPPOHBA-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-7-8-13(16-9-10-19-22(16)2)11-15(12)21-18(24)20-14-5-3-4-6-17(14)23/h7-11,14,17,23H,3-6H2,1-2H3,(H2,20,21,24)/t14-,17-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea?
1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea is sourced from PubChem (CID 125140861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).