1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea

C16H20N4O2 — CID 124853722

IUPAC1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCn1cc(-c2ccccc2)c(NC(=O)NC[C@@H]2CCCO2)n1
InChIInChI=1S/C16H20N4O2/c1-20-11-14(12-6-3-2-4-7-12)15(19-20)18-16(21)17-10-13-8-5-9-22-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H2,17,18,19,21)/t13-/m0/s1
InChIKeyWBYZPRKMMQNLBT-ZDUSSCGKSA-N
MW300.36 g/mol
LogP2.39
Rot. Bonds4

About 1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea

1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 124853722) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID124853722
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCn1cc(-c2ccccc2)c(NC(=O)NC[C@@H]2CCCO2)n1
InChIInChI=1S/C16H20N4O2/c1-20-11-14(12-6-3-2-4-7-12)15(19-20)18-16(21)17-10-13-8-5-9-22-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H2,17,18,19,21)/t13-/m0/s1
InChIKeyWBYZPRKMMQNLBT-ZDUSSCGKSA-N
XLogP2.39
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812547
3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95065889
1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea
CID 146091310
1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47237171
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 20974342
1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94182642
1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 108813280
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 51373175

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea (CID 124853722) is 1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea is Cn1cc(-c2ccccc2)c(NC(=O)NC[C@@H]2CCCO2)n1.
What is the InChIKey of 1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is WBYZPRKMMQNLBT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20-11-14(12-6-3-2-4-7-12)15(19-20)18-16(21)17-10-13-8-5-9-22-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H2,17,18,19,21)/t13-/m0/s1.
What are the key properties of 1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea?
1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-phenylpyrazol-3-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 124853722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).