1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea

C15H20N4O3 — CID 94656869

IUPAC1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea
SMILESCOc1ccc(-n2ccc(CNC(=O)NC[C@@H](C)O)n2)cc1
InChIInChI=1S/C15H20N4O3/c1-11(20)9-16-15(21)17-10-12-7-8-19(18-12)13-3-5-14(22-2)6-4-13/h3-8,11,20H,9-10H2,1-2H3,(H2,16,17,21)/t11-/m1/s1
InChIKeyYZZRGRRURCTBBJ-LLVKDONJSA-N
MW304.35 g/mol
LogP1.06
Rot. Bonds6

About 1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea

1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea (PubChem CID 94656869) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea
PubChem CID94656869
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea
SMILESCOc1ccc(-n2ccc(CNC(=O)NC[C@@H](C)O)n2)cc1
InChIInChI=1S/C15H20N4O3/c1-11(20)9-16-15(21)17-10-12-7-8-19(18-12)13-3-5-14(22-2)6-4-13/h3-8,11,20H,9-10H2,1-2H3,(H2,16,17,21)/t11-/m1/s1
InChIKeyYZZRGRRURCTBBJ-LLVKDONJSA-N
XLogP1.06
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea (CID 94656869) is 1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea is COc1ccc(-n2ccc(CNC(=O)NC[C@@H](C)O)n2)cc1.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea?
The InChIKey is YZZRGRRURCTBBJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-11(20)9-16-15(21)17-10-12-7-8-19(18-12)13-3-5-14(22-2)6-4-13/h3-8,11,20H,9-10H2,1-2H3,(H2,16,17,21)/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea?
1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea has a molecular weight of 304.35 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea is sourced from PubChem (CID 94656869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).