1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea

C18H24N4O3 — CID 94078517

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea
SMILESCc1cc(NC(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)n(C)n1
InChIInChI=1S/C18H24N4O3/c1-13-10-17(22(2)21-13)20-18(23)19-11-14-5-7-15(8-6-14)25-12-16-4-3-9-24-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H2,19,20,23)/t16-/m0/s1
InChIKeyXRYUCHVOOFMVNF-INIZCTEOSA-N
MW344.42 g/mol
LogP2.61
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea (PubChem CID 94078517) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea
PubChem CID94078517
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea
SMILESCc1cc(NC(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)n(C)n1
InChIInChI=1S/C18H24N4O3/c1-13-10-17(22(2)21-13)20-18(23)19-11-14-5-7-15(8-6-14)25-12-16-4-3-9-24-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H2,19,20,23)/t16-/m0/s1
InChIKeyXRYUCHVOOFMVNF-INIZCTEOSA-N
XLogP2.61
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea with MolForge

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Related Compounds

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1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(4-tert-butyl-phenoxy)-phenyl]-urea
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US10323022, Example 108
CID 118128761
1-[4-(3,4-Difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea (CID 94078517) is 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea is Cc1cc(NC(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea?
The InChIKey is XRYUCHVOOFMVNF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-10-17(22(2)21-13)20-18(23)19-11-14-5-7-15(8-6-14)25-12-16-4-3-9-24-16/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H2,19,20,23)/t16-/m0/s1.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea has a molecular weight of 344.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea is sourced from PubChem (CID 94078517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).