1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea

C15H17ClN4O3 — CID 97428208

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C15H17ClN4O3/c1-22-14-3-2-10(16)6-13(14)19-15(21)18-11-7-17-20(8-11)12-4-5-23-9-12/h2-3,6-8,12H,4-5,9H2,1H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyRUADMJVKIRUXEX-LBPRGKRZSA-N
MW336.78 g/mol
LogP3.15
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea

1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea (PubChem CID 97428208) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea
PubChem CID97428208
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C15H17ClN4O3/c1-22-14-3-2-10(16)6-13(14)19-15(21)18-11-7-17-20(8-11)12-4-5-23-9-12/h2-3,6-8,12H,4-5,9H2,1H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyRUADMJVKIRUXEX-LBPRGKRZSA-N
XLogP3.15
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea (CID 97428208) is 1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea is COc1ccc(Cl)cc1NC(=O)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea?
The InChIKey is RUADMJVKIRUXEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-22-14-3-2-10(16)6-13(14)19-15(21)18-11-7-17-20(8-11)12-4-5-23-9-12/h2-3,6-8,12H,4-5,9H2,1H3,(H2,18,19,21)/t12-/m0/s1.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea has a molecular weight of 336.78 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]urea is sourced from PubChem (CID 97428208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).