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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Related Compounds

(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride
CID 119302651
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpentanamide
CID 119747670
2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide
CID 120987280
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride
CID 119302653
3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
CID 136578868
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-(4-nitrophenoxy)acetamide
CID 60574874
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide
CID 119302636
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227214
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927589
1-[(2-methoxyphenyl)methyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 111217042
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[(1-phenylpyrazol-3-yl)methyl]urea
CID 121471637
1-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318084

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).